A single-molecule magnet is a long-sought-after nanoscale component because it can enable us to miniaturize nonvolatile memory storage devices.The signature of a single-molecule magnet is switching between two bistabl...A single-molecule magnet is a long-sought-after nanoscale component because it can enable us to miniaturize nonvolatile memory storage devices.The signature of a single-molecule magnet is switching between two bistable magnetic ground states under an external magnetic field.Based on this feature,we theoretically investigate a magnetic-fieldcontrolled reversible resistance change active at low temperatures in a molecular magnetic tunnel junction,which consists of a single-molecule magnet sandwiched between a ferromagnetic electrode and a normal metal electrode.Our numerical results demonstrate that the molecular magnetism orientation can be manipulated by magnetic fields to be parallel/antiparallel to the ferromagnetic electrode magnetization.Moreover,different magnetic configurations can be“read out”based on different resistance states or different spin polarization parameters in the current spectrum,even in the absence of a magnetic field.Such an external magnetic field-controlled resistance state switching effect is similar to that in traditional spin valve devices.The difference between the two systems is that one of the ferromagnetic layers in the original device has been replaced by a magnetic molecule.This proposed scheme provides the possibility of better control of the spin freedom of electrons in molecular electrical devices,with potential applications in future high-density nonvolatile memory devices.展开更多
Transport properties are theoretically studied through an anisotropy single-molecule magnet symmetrically connected to two identical ferromagnetic leads. It is found that even though in parallel configuration of leads...Transport properties are theoretically studied through an anisotropy single-molecule magnet symmetrically connected to two identical ferromagnetic leads. It is found that even though in parallel configuration of leads’ magnetizations, the total current still greatly depends on the spin polarization of leads at certain particular bias region, and thus for large polarization a prominent negative differential conductance （NDC） emerges. This originates from the joint effect of single-direction transitions and spin polarization, which removes the symmetry between spin-up and spin-down transitions. The present mechanism of NDC is remarkably different from the previously reported mechanisms. To clarify the physics of the NDC, we further monitored the shot noise spectroscopy and found that the appearance of the NDC is accompanied by the rapid decrease of Fano factor.展开更多
This paper investigates the single-molecule magnets of pure and Cr/Fe-doped Mn12-Ac. The components of the mixed crystals are identified by AC susceptibility technique. The ground-state spin and anisotropy parameters ...This paper investigates the single-molecule magnets of pure and Cr/Fe-doped Mn12-Ac. The components of the mixed crystals are identified by AC susceptibility technique. The ground-state spin and anisotropy parameters of doped Mn12-Ac are obtained： （i） MnllCr-Ac （S=19/2, D=0.62K, B=0.0009K, A=63K）, and （ii） Mn11Fe-Ac （S=21/2, D=0.39 K, B=0.001 K, △=55 K）. The single-ion origin of the magnetic anisotropy is discussed.展开更多
The transport properties of an artificial single-molecule magnet based on a CdTe quantum dot doped with a single Mn＋2 ion（S=5/2） are investigated by the non-equilibrium Green function method.We consider a minimal m...The transport properties of an artificial single-molecule magnet based on a CdTe quantum dot doped with a single Mn＋2 ion（S=5/2） are investigated by the non-equilibrium Green function method.We consider a minimal model where the Mn-hole exchange coupling is strongly anisotropic so that spin-flip is suppressed and the impurity spin S and a hole spin s entering the quantum dot are coupled into spin pair states with（2S＋1） sublevels.In the sequential tunneling regime,the differential conductance exhibits（2S＋1） possible peaks,corresponding to resonance tunneling via（2S＋1） sublevels.At low temperature,Kondo physics dominates transport and（2S＋1） Kondo peaks occur in the local density of states and conductance.These peaks originate from the spin-singlet state formed by the holes in the leads and on the dot via higher-order processes and are related to the parallel and antiparallel spin pair states.展开更多
Single-molecule magnets(SMMs)are a kind of nanosized magnetic materials that are capable of storing massive bytes of information.Strongly coupling the spin centers in a proper manner is a usual approach to promote the...Single-molecule magnets(SMMs)are a kind of nanosized magnetic materials that are capable of storing massive bytes of information.Strongly coupling the spin centers in a proper manner is a usual approach to promote the working temperature(or blocking temperature)for SMMs.Electron delocalized radicals have been widely employed to accomplish this job.Here,we show a new manner by using weak but multiple B–H^(δ-)···Dy^(3+)inverse hydrogen bonding(IHB)interactions to control the magnetic couplings in a series of dimeric dysprosiacaborane SMMs.This approach leads to a record high T_(B)^(100s)of 10 K among non-radical bridged dimeric SMMs,which is mainly ascribed to strong ferromagnetic coupling(4.38 cm^(-1))and the proper alignment of the magnetic principle axes of the adjacent dysprosium(Ⅲ)ions.In verifying by theoretical calculations,these results demonstrate that IHB interactions can be used to construct strong axial ferromagnetic coupling and enhancing magnetic blocking temperature for SMMs.展开更多
Two erbium(Ⅲ)complexes[ErCl(OAr^(Ad))_(3)][Na(THF)_(6)](1)and Er(OAr^(Ad))_(3)(2)are successfully prepared by using one variety of"hard"base ligand with large steric hindrance.The coordination geometry arou...Two erbium(Ⅲ)complexes[ErCl(OAr^(Ad))_(3)][Na(THF)_(6)](1)and Er(OAr^(Ad))_(3)(2)are successfully prepared by using one variety of"hard"base ligand with large steric hindrance.The coordination geometry around the Er(Ⅲ)site changes from distorted tetrahedral to flat trigonal pyramid geometry in different solvent environment due to the removal of the coordinated chloride.Such an alternation significantly enhances the single-molecule magnet(SMM)behavior and makes the field-induced effective energy barrier(Ueff)arrive at 43(1)cm-1for the latter.Together with theoretical calculations,this study shows that strong equatorial ligand field and high local symmetry are critical to suppress the quantum tunneling of the magnetization(QTM)and achieve high-performance erbium(Ⅲ)based SMMs.展开更多
The combination of cyclopentadiene,β-diketonate and tripyrazoylborate ligands with dysprosium ion afforded five mononuclear compounds:[(Cp)2Dy(Tp∗)](1Dy),[(Cp)Dy(Tp∗)Cl(THF)](2Dy),[(Cp)Dy(Tp)Cl(THF)](3Dy),[(DBM)Dy(Tp...The combination of cyclopentadiene,β-diketonate and tripyrazoylborate ligands with dysprosium ion afforded five mononuclear compounds:[(Cp)2Dy(Tp∗)](1Dy),[(Cp)Dy(Tp∗)Cl(THF)](2Dy),[(Cp)Dy(Tp)Cl(THF)](3Dy),[(DBM)Dy(Tp)Cl(THF)](4Dy),[{(Tp)Dy(DBM)_(2)(H_(2)O)}·THF](5Dy)(Cp=cyclopentadiene;Tp∗=hydrotris(3,5-dimethyl-1-pyrazolyl)borate;Tp=hydrotris(1-pyrazolyl)borate;DBM=dibenzoylmethanoate).Magnetic study revealed that 1Dy and 3Dy exhibited typical butterfly-type hysteresis.AC susceptibility study combined with ab initio calculations indicated that the magnetic relaxation behaviors of 1Dy–4Dy were governed by the Orbach and Raman processes under applied DC field.Moreover,3Dy showed two-step magnetic relaxation,which was attributed to the static disordering of the coordinated THF molecule.Magnetic anisotropy analysis indicated that it was the relative strength of the interactions between DyIII and surrounding ligands that determined the orientation of the magnetic easy axis.展开更多
Orientation-dependent transport properties induced by anisotropic molecules are enticing in single-molecule junctions.Here,using the first-principles method,we theoretically investigate spin transport properties and p...Orientation-dependent transport properties induced by anisotropic molecules are enticing in single-molecule junctions.Here,using the first-principles method,we theoretically investigate spin transport properties and photoresponse characteristics in trimesic acid magnetic single-molecule junctions with different molecular adsorption orientations and electrode contact sites.The transport calculations indicate that a single-molecule switch and a significant enhancement of spin transport and photoresponse can be achieved when the molecular adsorption orientation changes from planar geometry to upright geometry.The maximum spin polarization of current and photocurrent in upright molecular junctions exceeds 90%.Moreover,as the Ni tip electrode moves,the tunneling magnetoresistance of upright molecular junctions can be increased to 70%.The analysis of the spin-dependent PDOS elucidates that the spinterfaces between organic molecule and ferromagnetic electrodes are modulated by molecular adsorption orientation,where the molecule in upright molecular junctions yields higher spin polarization.Our theoretical work paves the way for designing spintronic devices and optoelectronic devices with anisotropic functionality base on anisotropic molecules.展开更多
Three sandwich-like[Ln_(2)Fe_(2)(B-α-FeW_9O_(34))_(2)]^(10-) clusters(Ln_(2)Fe_(4),Ln=Dy(1),Ho(2),and Y(3)) were obtained by reacting Na_9[B-α-SbW_9O_(33)],Ln_(2)O_(3),FeCl_(3)·6H_(2)O and KH_(2)PO_(4).The[B-α...Three sandwich-like[Ln_(2)Fe_(2)(B-α-FeW_9O_(34))_(2)]^(10-) clusters(Ln_(2)Fe_(4),Ln=Dy(1),Ho(2),and Y(3)) were obtained by reacting Na_9[B-α-SbW_9O_(33)],Ln_(2)O_(3),FeCl_(3)·6H_(2)O and KH_(2)PO_(4).The[B-α-FeW_9O_(34)]^(11-) units were formed via the in situ conversion of lacunary polyoxometalates(POM)[B-α-SbW_9O_(33)]^(9-)and the Ln^(3+)ions were generated from the slow dissolution of Ln_(2)O_(3),both of which play important roles in the synthesis of Ln_(2)Fe_(4).Ln_(2)Fe_(4) is the first 3d-4f cluster assembled from d-metal heteroatom-containing POM.The Dy_(2)Fe_(4) cluster exhibits single-molecule magnet properties with an 80 K energy barrier in an optimal DC field.Cyclic voltammetry tests and controlled-potential coulometry experiments show that the polyoxometalate Fe heteroatom in clusters 1-3 is also electrochemically active.展开更多
The reaction of DyCl_(3)·6H_(2)O with a rigid diacylhydrazone ligand(H_(2)L)afforded a trinuclear precursor[Dy_(3)L_(2)Cl_(3)(H_(2)O)_(2)(CH_(3)OH)]Cl_(2)·3CH_(3)OH(1).The replacement of the Cl-ions and the ...The reaction of DyCl_(3)·6H_(2)O with a rigid diacylhydrazone ligand(H_(2)L)afforded a trinuclear precursor[Dy_(3)L_(2)Cl_(3)(H_(2)O)_(2)(CH_(3)OH)]Cl_(2)·3CH_(3)OH(1).The replacement of the Cl-ions and the coordinating solvents by the aryloxides ligands(Lx)-yields three trinuclear complexes[Dy_(3)L_(2)(Lx)_(5)]·nsol(x=1,2-naphthol(2);x=2,7-hydroxycoumarin(3);and x=3,phenol(4)).In complexes 2-4,two end Dy^(3+)centers adopt almost identical N_(4)O_(4) coordination sphere of D6h geometry while the central one adopts N_(4)O_(5) coordination sphere in Cs geometry.Magnetic measurements reveal weak antiferromagnetic interactions in the hydrated samples 2e-4e and two-step slow relaxation process under zero dc field with effective energy barriers Ueff of 439 and 91 K,353 and 40 K,466 and 89 K for SR and FR in 2e-4e,respectively.Such dynamic magnetic behaviour for 4 persists in the magnetically diluted sample of 4@Y.Complex 4 possesses the short Dy-O_(aryloxide) bond distance of 2.055(18)Å,and the largest Ueff among the reported linear trinuclear dysprosium complexes.Moreover,the functionalized aryloxides ligands(Lx)-show photoluminescence via intramolecular energy transfer,making 2e-4e luminescent Dy^(3+)SMMs with high energy barriers.展开更多
Two chelating guanidinate-based dysprosium(Ⅲ)complexes,namely the monomeric{(Me_(3)Si)_(2)NC(N^(i)Pr)_(2)}_(2)Dy(μ-CI)_(2)Li(THF)_(2) 1 and the dimeric[{(Me_(3)Si)_(2)NC(N^(i)Pr)_(2)}_(2)Dy(μ-CI)]_(2) 2,have been c...Two chelating guanidinate-based dysprosium(Ⅲ)complexes,namely the monomeric{(Me_(3)Si)_(2)NC(N^(i)Pr)_(2)}_(2)Dy(μ-CI)_(2)Li(THF)_(2) 1 and the dimeric[{(Me_(3)Si)_(2)NC(N^(i)Pr)_(2)}_(2)Dy(μ-CI)]_(2) 2,have been confirmed to be single-molecule magnets.Moreover,the alteration from 1 to 2 leads to an obvious mitigated quantum tunnelling of magnetization at zero field of the hysteresis loop and much enhanced magnetic relaxation barrier(up to 312 K).5%dilution with the yttrium(Ⅲ)analogue for 2 shows no clear change for the hysteresis,indicating the single-ion nature of the magnetic behavior.展开更多
Frequency-domain terahertz transmission spectra of Mn3 and Mn12 single molecule magnets （SMMs） have been measured at different temperatures, and hence the anisotropic parameters O2 and D4 of the spin Hamiltonian H =...Frequency-domain terahertz transmission spectra of Mn3 and Mn12 single molecule magnets （SMMs） have been measured at different temperatures, and hence the anisotropic parameters O2 and D4 of the spin Hamiltonian H = D2Sz^2 ＋ D4Sz^4 have been calculated. For Mn12 SMM, D2=-10.9 GHz and D4=-2.59×10^-2 GHz, while for Mn3 SMM, D2=-22.0 GHz and D4 can be con- sidered negligible. This suggests Mn3 SMM can be considered as a simpler and more suitable candidate for magnetic quantum tunneling research.展开更多
Eight square-pyramidal dysprosium complexes of the type[Dy(X)(DBP)_(2){TMG(H)}_(2)]were synthesized,where TMG(H)denotes 1,1,3,3-tetramethylguanidine,X denotes an alkoxide ligand or anionic guanidinate in the apical po...Eight square-pyramidal dysprosium complexes of the type[Dy(X)(DBP)_(2){TMG(H)}_(2)]were synthesized,where TMG(H)denotes 1,1,3,3-tetramethylguanidine,X denotes an alkoxide ligand or anionic guanidinate in the apical position,and DBP denotes 2,6-di-tert-butylphenoxide.These complexes,expressed as 5-Dy-X,are single-molecule magnets(SMMs)with properties dependent on the nature of the apical X ligand.展开更多
Symmetryandaxialityarethought tobeguides toward the pursuit of high energy barrier and blocking temperature for thedysprosium(Ⅲ)(Dy^(Ⅲ))single-molecule magnets(SMMs).The Dy^(Ⅲ)complexeswith low coordination numbers...Symmetryandaxialityarethought tobeguides toward the pursuit of high energy barrier and blocking temperature for thedysprosium(Ⅲ)(Dy^(Ⅲ))single-molecule magnets(SMMs).The Dy^(Ⅲ)complexeswith low coordination numbers are intended to satisfy axial symmetry.Here,we report four four-coordinate Dy^(Ⅲ)SMMs based on bis(arylamido)dysprosium building block{Dy(N^(RR’))2(μ-Cl)_(2)K}(N^(RR’)={N(SiMe_(3))(C_(6)H_(3)iPr_(2)-2,6)}^(−)),with two strong Dy–N and twoweak Dy–Cl bonds.Through fine-tuning of axial anisotropy,the SMM with the largest N–Dy–N angle of 139.24(15)°displayed magnetic hysteresis with a coercive field(H_(c))of 18.6 kOe at 2 K,which kept opening up to 35 K.Alternating current susceptibility measurement showed that the relaxation energy barrier reached as high as 1578 K,which is among the highest reported Dy^(Ⅲ)SMMs.Ab initio calculations revealed strong anisotropy and crystal-field axiality of the compound,despite the low symmetry,and provided a synthetically workable approach to construct high-performance SMMs useful in applications such as digital processing,transport electronics,quantumcomputing,and ultra-high-density data storage.展开更多
Nd-Fe-B permanent magnets play a crucial role in energy conversion and electronic devices.The essential magnetic properties of Nd-Fe-B magnets,particularly coercivity and remanent magnetization,are significantly infue...Nd-Fe-B permanent magnets play a crucial role in energy conversion and electronic devices.The essential magnetic properties of Nd-Fe-B magnets,particularly coercivity and remanent magnetization,are significantly infuenced by the phase characteristics and microstructure.In this work,Nd-Fe-B magnets were manufactured using vacuum induction melting(VIM),laser directed energy deposition(LDED)and laser powder bed fusion(LPBF)technologies.Themicrostructure evolution and phase selection of Nd-Fe-B magnets were then clarified in detail.The results indicated that the solidification velocity(V)and cooling rate(R)are key factors in the phase selection.In terms of the VIM-casting Nd-Fe-B magnet,a large volume fraction of theα-Fe soft magnetic phase(39.7 vol.%)and Nd2Fe17Bxmetastable phase(34.7 vol.%)areformed due to the low R(2.3×10-1?C s-1),whereas only a minor fraction of the Nd2Fe14B hard magnetic phase(5.15 vol.%)is presented.For the LDED-processed Nd-Fe-B deposit,although the Nd2Fe14B hard magnetic phase also had a low value(3.4 vol.%)as the values of V(<10-2m s-1)and R(5.06×103?C s-1)increased,part of theα-Fe soft magnetic phase(31.7vol.%)is suppressed,and a higher volume of Nd2Fe17Bxmetastable phases(47.5 vol.%)areformed.As a result,both the VIM-casting and LDED-processed Nd-Fe-B deposits exhibited poor magnetic properties.In contrast,employing the high values of V(>10-2m s-1)and R(1.45×106?C s-1)in the LPBF process resulted in the substantial formation of the Nd2Fe14B hard magnetic phase(55.8 vol.%)directly from the liquid,while theα-Fe soft magnetic phase and Nd2Fe17Bxmetastable phase precipitation are suppressed in the LPBF-processed Nd-Fe-B magnet.Additionally,crystallographic texture analysis reveals that the LPBF-processedNd-Fe-B magnets exhibit isotropic magnetic characteristics.Consequently,the LPBF-processed Nd-Fe-B deposit,exhibiting a coercivity of 656 k A m-1,remanence of 0.79 T and maximum energy product of 71.5 k J m-3,achieved an acceptable magnetic performance,comparable to other additive manufacturing processed Nd-Fe-B magnets from MQP(Nd-lean)Nd-Fe-Bpowder.展开更多
It is an appealing notion that a protein molecule could act as a nanomagnet.A genetically encodable biomolecule with a permanent magnetic moment at room temperature could have a range of applications:a magnetogenetic ...It is an appealing notion that a protein molecule could act as a nanomagnet.A genetically encodable biomolecule with a permanent magnetic moment at room temperature could have a range of applications:a magnetogenetic actuator,a magnetic tag for purifying and immobilizing enzymes,a contrast agent for magnetic resonance imaging,and a basis for a biomimetic magnetic sensing device,to name just a few.A magnetic protein could perhaps also function as the sensor in the magnetic compass that enables small songbirds to navigate the huge distances between their breeding and wintering grounds.Attractive though such possibilities may be,how realistic are they?展开更多
The Sm–Zr–Fe–Co–Ti quinary-alloys with ThMn12 structure has attracted wide attention for ultra-high intrinsic magnetic properties,showing potentiality to be developed into rare-earth permanent magnets.The Ti eleme...The Sm–Zr–Fe–Co–Ti quinary-alloys with ThMn12 structure has attracted wide attention for ultra-high intrinsic magnetic properties,showing potentiality to be developed into rare-earth permanent magnets.The Ti element in alloys is crucial for phase stability and magnetic properties,and lower Ti content can increase intrinsic magnetic properties but reduce phase stability.In this study,the 1:12 single-phase melt-spun ribbons with low Ti content was successfully prepared using a rapid solidification non-equilibrium method for the Sm1.1Zr_(0.2)Fe_(9.2)Co_(2.3)Ti_(0.5) quinary-alloy.However,this non-equilibrium ribbon did not achieve good magnetic hardening due to the uneven microstructure and microstrain.Then,annealing was carried out to eliminate micro-strain and homogenize microstructure,therefore,remanence and coercivity were significantly improved even the precipitation of a small amount of a-Fe phase which were not conducive to coercivity.The remanence of 86.1 emu/g and coercivity of 151 kA/m was achieved when annealing at 850℃ for 45 min.After hot pressing,under the action of high temperature and pressure,a small portion of ThMn12 phases in the magnet decompose into Sm-rich phases and a-Fe,while remanence of 4.02 kGs(1 Gs=10^(-4) T),and coercivity of 1.12 kOe(1 Oe=79.5775 A·m^(-1))were still acquired.Our findings can provide reference for exploring practical permanent magnets made of 1:12 type quinary-alloys.展开更多
The grain boundary phase affects the magnetic properties and corrosion resistance of sintered NdFeB magnets.In this work,a small amount of In was added to NdFeB magnets by induction melting to systematically investiga...The grain boundary phase affects the magnetic properties and corrosion resistance of sintered NdFeB magnets.In this work,a small amount of In was added to NdFeB magnets by induction melting to systematically investigate its effect on the evolution of the microstructure,magnetic properties and corrosion resistance of NdFeB magnets.Microstructural analysis illustrated that minor In addition generated more grain boundary phases and an abundant amorphous phase at the triple-junction grain boundary.While the addition of In failed to enhance the magnetic isolation effect between adjacent matrix grains,its incorporation fortuitously elevated the electrochemical potential of the In-containing magnets.Besides,during corrosion,an In-rich precipitate phase formed,hindering the ingress of the corrosive medium into the magnet.Consequently,this significantly bolstered the corrosion resistance of the sintered NdFeB magnets.The phase formation,magnetic properties and corrosion resistance of In-doped NdFeB magnets are detailed in this work,which provides new prospects for the preparation of high-performance sintered NdFeB magnets.展开更多
Currently,three types of superconducting quadrupole magnets are used in particle accelerators:cos 2θ,CCT,and serpentine.However,all three coil configurations have complex spatial geometries,which make magnet manufact...Currently,three types of superconducting quadrupole magnets are used in particle accelerators:cos 2θ,CCT,and serpentine.However,all three coil configurations have complex spatial geometries,which make magnet manufacturing and strain-sensitive superconductor applications difficult.Compared with the three existing quadrupole coils,the racetrack quadrupole coil has a simple shape and manufacturing process,but there have been few theoretical studies.In this paper,the two-dimensional and three-dimensional analytical expressions for the magnetic field in coil-dominated racetrack superconducting quadrupole magnets are presented.The analytical expressions of the field harmonics and gradient are fully resolved and depend only on the geometric parameters of the coil and current density.Then,a genetic algorithm is applied to obtain a solution for the coil geometry parameters with field harmonics on the order of 10^(-4).Finally,considering the practical engineering needs of the accelerator interaction region,electromagnetic design examples of racetrack quadrupole magnets with high gradients,large apertures,and small apertures are described,and the application prospects of racetrack quadrupole coils are analyzed.展开更多
The superconducting magnet system of a fusion reactor plays a vital role in plasma confinement,a process that can be dis-rupted by various operational factors.A critical parameter for evaluating the temperature margin...The superconducting magnet system of a fusion reactor plays a vital role in plasma confinement,a process that can be dis-rupted by various operational factors.A critical parameter for evaluating the temperature margin of superconducting magnets during normal operation is the nuclear heating caused by D-T neutrons.This study investigates the impact of nuclear heat-ing on a superconducting magnet system by employing an improved analysis method that combines neutronics and thermal hydraulics.In the magnet system,toroidal field(TF)magnets are positioned closest to the plasma and bear the highest nuclear-heat load,making them prime candidates for evaluating the influence of nuclear heating on stability.To enhance the modeling accuracy and facilitate design modifications,a parametric TF model that incorporates heterogeneity is established to expedite the optimization design process and enhance the accuracy of the computations.A comparative analysis with a homogeneous TF model reveals that the heterogeneous model improves accuracy by over 12%.Considering factors such as heat load,magnetic-field strength,and cooling conditions,the cooling circuit facing the most severe conditions is selected to calculate the temperature of the superconductor.This selection streamlines the workload associated with thermal-hydraulic analysis.This approach enables a more efficient and precise evaluation of the temperature margin of TF magnets.Moreover,it offers insights that can guide the optimization of both the structure and cooling strategy of superconducting magnet systems.展开更多
基金supported by the National Natural Science Foundation of China(Grant No.11404322)the Natural Science Foundation of Huai’an(Grant Nos.HAB202229 and HAB202150)the Natural Science Foundation of the Jiangsu Higher Education Institutions of China(Grant No.22KJD140002)。
文摘A single-molecule magnet is a long-sought-after nanoscale component because it can enable us to miniaturize nonvolatile memory storage devices.The signature of a single-molecule magnet is switching between two bistable magnetic ground states under an external magnetic field.Based on this feature,we theoretically investigate a magnetic-fieldcontrolled reversible resistance change active at low temperatures in a molecular magnetic tunnel junction,which consists of a single-molecule magnet sandwiched between a ferromagnetic electrode and a normal metal electrode.Our numerical results demonstrate that the molecular magnetism orientation can be manipulated by magnetic fields to be parallel/antiparallel to the ferromagnetic electrode magnetization.Moreover,different magnetic configurations can be“read out”based on different resistance states or different spin polarization parameters in the current spectrum,even in the absence of a magnetic field.Such an external magnetic field-controlled resistance state switching effect is similar to that in traditional spin valve devices.The difference between the two systems is that one of the ferromagnetic layers in the original device has been replaced by a magnetic molecule.This proposed scheme provides the possibility of better control of the spin freedom of electrons in molecular electrical devices,with potential applications in future high-density nonvolatile memory devices.
基金Project supported by the Program for New Century Excellent Talents in University of China (Grant No. NCET-10-0090)the National Natural Science Foundation of China (Grant Nos. 10974058, 11174088, and 11274124)the Natural Science Foundation of Guangdong Province of China (Grant No. S2012010010681)
文摘Transport properties are theoretically studied through an anisotropy single-molecule magnet symmetrically connected to two identical ferromagnetic leads. It is found that even though in parallel configuration of leads’ magnetizations, the total current still greatly depends on the spin polarization of leads at certain particular bias region, and thus for large polarization a prominent negative differential conductance （NDC） emerges. This originates from the joint effect of single-direction transitions and spin polarization, which removes the symmetry between spin-up and spin-down transitions. The present mechanism of NDC is remarkably different from the previously reported mechanisms. To clarify the physics of the NDC, we further monitored the shot noise spectroscopy and found that the appearance of the NDC is accompanied by the rapid decrease of Fano factor.
基金Project supported by the National Natural Science Foundation of China (Grant Nos 10505029 and 10375088)
文摘This paper investigates the single-molecule magnets of pure and Cr/Fe-doped Mn12-Ac. The components of the mixed crystals are identified by AC susceptibility technique. The ground-state spin and anisotropy parameters of doped Mn12-Ac are obtained： （i） MnllCr-Ac （S=19/2, D=0.62K, B=0.0009K, A=63K）, and （ii） Mn11Fe-Ac （S=21/2, D=0.39 K, B=0.001 K, △=55 K）. The single-ion origin of the magnetic anisotropy is discussed.
基金Project supported by the National Natural Science Foundation of China (Grant Nos. 10974124 and 11004124)the Natural Science Foundation of Shanxi Province of China (Grant No. 2009011001-1)
文摘The transport properties of an artificial single-molecule magnet based on a CdTe quantum dot doped with a single Mn＋2 ion（S=5/2） are investigated by the non-equilibrium Green function method.We consider a minimal model where the Mn-hole exchange coupling is strongly anisotropic so that spin-flip is suppressed and the impurity spin S and a hole spin s entering the quantum dot are coupled into spin pair states with（2S＋1） sublevels.In the sequential tunneling regime,the differential conductance exhibits（2S＋1） possible peaks,corresponding to resonance tunneling via（2S＋1） sublevels.At low temperature,Kondo physics dominates transport and（2S＋1） Kondo peaks occur in the local density of states and conductance.These peaks originate from the spin-singlet state formed by the holes in the leads and on the dot via higher-order processes and are related to the parallel and antiparallel spin pair states.
基金supported by the National Natural Science Foundation of China(22375157)the State Key Laboratory of Electrical Insulation and Power Equipment(EIPE23402,EIPE23405)+3 种基金the Special Support Plan of Shaanxi Province for Young Top-notch Talentthe Fundamental Research Funds for Central Universities(xtr052023002,xzy012023024)the China Postdoctoral Science Foundation(2023M742783,GZB20240599)the Shaanxi Postdoctoral Science Foundation(2023BSHYDZZ12)。
文摘Single-molecule magnets(SMMs)are a kind of nanosized magnetic materials that are capable of storing massive bytes of information.Strongly coupling the spin centers in a proper manner is a usual approach to promote the working temperature(or blocking temperature)for SMMs.Electron delocalized radicals have been widely employed to accomplish this job.Here,we show a new manner by using weak but multiple B–H^(δ-)···Dy^(3+)inverse hydrogen bonding(IHB)interactions to control the magnetic couplings in a series of dimeric dysprosiacaborane SMMs.This approach leads to a record high T_(B)^(100s)of 10 K among non-radical bridged dimeric SMMs,which is mainly ascribed to strong ferromagnetic coupling(4.38 cm^(-1))and the proper alignment of the magnetic principle axes of the adjacent dysprosium(Ⅲ)ions.In verifying by theoretical calculations,these results demonstrate that IHB interactions can be used to construct strong axial ferromagnetic coupling and enhancing magnetic blocking temperature for SMMs.
基金supported by National Natural Science Foundation of China(Nos.21971203,82073271 and 81803026)Key Scientific and Technological Innovation Team of Shaanxi Province(No.2020TD-001)the Fundamental Research Funds for Central Universities。
文摘Two erbium(Ⅲ)complexes[ErCl(OAr^(Ad))_(3)][Na(THF)_(6)](1)and Er(OAr^(Ad))_(3)(2)are successfully prepared by using one variety of"hard"base ligand with large steric hindrance.The coordination geometry around the Er(Ⅲ)site changes from distorted tetrahedral to flat trigonal pyramid geometry in different solvent environment due to the removal of the coordinated chloride.Such an alternation significantly enhances the single-molecule magnet(SMM)behavior and makes the field-induced effective energy barrier(Ueff)arrive at 43(1)cm-1for the latter.Together with theoretical calculations,this study shows that strong equatorial ligand field and high local symmetry are critical to suppress the quantum tunneling of the magnetization(QTM)and achieve high-performance erbium(Ⅲ)based SMMs.
基金This work was financially supported by the National Natural Science Foundation of China(Nos.22222103,22173015,22025101,21801037,91961114 and 21871039)the Fundamental Research Funds for Central University,China。
文摘The combination of cyclopentadiene,β-diketonate and tripyrazoylborate ligands with dysprosium ion afforded five mononuclear compounds:[(Cp)2Dy(Tp∗)](1Dy),[(Cp)Dy(Tp∗)Cl(THF)](2Dy),[(Cp)Dy(Tp)Cl(THF)](3Dy),[(DBM)Dy(Tp)Cl(THF)](4Dy),[{(Tp)Dy(DBM)_(2)(H_(2)O)}·THF](5Dy)(Cp=cyclopentadiene;Tp∗=hydrotris(3,5-dimethyl-1-pyrazolyl)borate;Tp=hydrotris(1-pyrazolyl)borate;DBM=dibenzoylmethanoate).Magnetic study revealed that 1Dy and 3Dy exhibited typical butterfly-type hysteresis.AC susceptibility study combined with ab initio calculations indicated that the magnetic relaxation behaviors of 1Dy–4Dy were governed by the Orbach and Raman processes under applied DC field.Moreover,3Dy showed two-step magnetic relaxation,which was attributed to the static disordering of the coordinated THF molecule.Magnetic anisotropy analysis indicated that it was the relative strength of the interactions between DyIII and surrounding ligands that determined the orientation of the magnetic easy axis.
基金Project supported by the National Natural Science Foundation of China (Grant Nos.11974217,12204281,and 21933002)the Shandong Provincial Natural Science Foundation (Grant No.ZR2022QA068)。
文摘Orientation-dependent transport properties induced by anisotropic molecules are enticing in single-molecule junctions.Here,using the first-principles method,we theoretically investigate spin transport properties and photoresponse characteristics in trimesic acid magnetic single-molecule junctions with different molecular adsorption orientations and electrode contact sites.The transport calculations indicate that a single-molecule switch and a significant enhancement of spin transport and photoresponse can be achieved when the molecular adsorption orientation changes from planar geometry to upright geometry.The maximum spin polarization of current and photocurrent in upright molecular junctions exceeds 90%.Moreover,as the Ni tip electrode moves,the tunneling magnetoresistance of upright molecular junctions can be increased to 70%.The analysis of the spin-dependent PDOS elucidates that the spinterfaces between organic molecule and ferromagnetic electrodes are modulated by molecular adsorption orientation,where the molecule in upright molecular junctions yields higher spin polarization.Our theoretical work paves the way for designing spintronic devices and optoelectronic devices with anisotropic functionality base on anisotropic molecules.
基金supported by the National Natural Science Foundation of China(Nos.21871224,92161104,92161203 and 21721001)Innovation Laboratory for Sciences and Technologies of Energy Materials of Fujian Province(IKKEM No.RD2021040301)。
文摘Three sandwich-like[Ln_(2)Fe_(2)(B-α-FeW_9O_(34))_(2)]^(10-) clusters(Ln_(2)Fe_(4),Ln=Dy(1),Ho(2),and Y(3)) were obtained by reacting Na_9[B-α-SbW_9O_(33)],Ln_(2)O_(3),FeCl_(3)·6H_(2)O and KH_(2)PO_(4).The[B-α-FeW_9O_(34)]^(11-) units were formed via the in situ conversion of lacunary polyoxometalates(POM)[B-α-SbW_9O_(33)]^(9-)and the Ln^(3+)ions were generated from the slow dissolution of Ln_(2)O_(3),both of which play important roles in the synthesis of Ln_(2)Fe_(4).Ln_(2)Fe_(4) is the first 3d-4f cluster assembled from d-metal heteroatom-containing POM.The Dy_(2)Fe_(4) cluster exhibits single-molecule magnet properties with an 80 K energy barrier in an optimal DC field.Cyclic voltammetry tests and controlled-potential coulometry experiments show that the polyoxometalate Fe heteroatom in clusters 1-3 is also electrochemically active.
基金This work was supported by the National Natural Science Foundation of China(21971142,21973046 and 22271171).
文摘The reaction of DyCl_(3)·6H_(2)O with a rigid diacylhydrazone ligand(H_(2)L)afforded a trinuclear precursor[Dy_(3)L_(2)Cl_(3)(H_(2)O)_(2)(CH_(3)OH)]Cl_(2)·3CH_(3)OH(1).The replacement of the Cl-ions and the coordinating solvents by the aryloxides ligands(Lx)-yields three trinuclear complexes[Dy_(3)L_(2)(Lx)_(5)]·nsol(x=1,2-naphthol(2);x=2,7-hydroxycoumarin(3);and x=3,phenol(4)).In complexes 2-4,two end Dy^(3+)centers adopt almost identical N_(4)O_(4) coordination sphere of D6h geometry while the central one adopts N_(4)O_(5) coordination sphere in Cs geometry.Magnetic measurements reveal weak antiferromagnetic interactions in the hydrated samples 2e-4e and two-step slow relaxation process under zero dc field with effective energy barriers Ueff of 439 and 91 K,353 and 40 K,466 and 89 K for SR and FR in 2e-4e,respectively.Such dynamic magnetic behaviour for 4 persists in the magnetically diluted sample of 4@Y.Complex 4 possesses the short Dy-O_(aryloxide) bond distance of 2.055(18)Å,and the largest Ueff among the reported linear trinuclear dysprosium complexes.Moreover,the functionalized aryloxides ligands(Lx)-show photoluminescence via intramolecular energy transfer,making 2e-4e luminescent Dy^(3+)SMMs with high energy barriers.
基金the Shenzhen Science and Technology Program(No.JCYJ20180306170859634)the National Natural Science Foundation of China(Nos.21773130,21801202,21971203 and 21620102002)+5 种基金the Key Scientific and Technological Innovation Team of Shaanxi Province(No.2020TD-001)the Key Laboratory Construction Program of Xi’an Municipal Bureau of Science and Technology(No.201805056ZD7CG40)the China Postdoctoral Science Foundation(Grants Nos.2019T120891,2017M623150 and 2018M643615)the Postdoctoral Foundation of Shaanxi Province(Grant No.2018BSHEDZZ100)the Shaanxi Postdoctoral Science Foundation(No.2017BSHTDZZ08)the Fundamental Research Funds for Central Universities.We also thank the Instrument Analysis Center of Xi'an Jiaotong University for the measurement on dilution ratio and the University of Manchester for elemental analyses measurement.
文摘Two chelating guanidinate-based dysprosium(Ⅲ)complexes,namely the monomeric{(Me_(3)Si)_(2)NC(N^(i)Pr)_(2)}_(2)Dy(μ-CI)_(2)Li(THF)_(2) 1 and the dimeric[{(Me_(3)Si)_(2)NC(N^(i)Pr)_(2)}_(2)Dy(μ-CI)]_(2) 2,have been confirmed to be single-molecule magnets.Moreover,the alteration from 1 to 2 leads to an obvious mitigated quantum tunnelling of magnetization at zero field of the hysteresis loop and much enhanced magnetic relaxation barrier(up to 312 K).5%dilution with the yttrium(Ⅲ)analogue for 2 shows no clear change for the hysteresis,indicating the single-ion nature of the magnetic behavior.
基金supported by the Science Foundation of the Chinese Academy of Sciences (Grant No. KJCX2-SW-W20)the National Basic Research Program of China (Grant No. 2011CB921702)
文摘Frequency-domain terahertz transmission spectra of Mn3 and Mn12 single molecule magnets （SMMs） have been measured at different temperatures, and hence the anisotropic parameters O2 and D4 of the spin Hamiltonian H = D2Sz^2 ＋ D4Sz^4 have been calculated. For Mn12 SMM, D2=-10.9 GHz and D4=-2.59×10^-2 GHz, while for Mn3 SMM, D2=-22.0 GHz and D4 can be con- sidered negligible. This suggests Mn3 SMM can be considered as a simpler and more suitable candidate for magnetic quantum tunneling research.
基金The authors thank the National Natural Science Foundation of China(nos.21525103,21871247,and 21973046)the Key Research Program of Frontier Sciences,CAS(no.ZDBS-LY-SLH023)+2 种基金the ERC(no.CoG 646740)the EPSRC(no.EP/M022064/1)for financial supportJ.T.and R.A.L.gratefully acknowledge support from the Royal Society-Newton Advanced Fellowship(no.NA160075).
文摘Eight square-pyramidal dysprosium complexes of the type[Dy(X)(DBP)_(2){TMG(H)}_(2)]were synthesized,where TMG(H)denotes 1,1,3,3-tetramethylguanidine,X denotes an alkoxide ligand or anionic guanidinate in the apical position,and DBP denotes 2,6-di-tert-butylphenoxide.These complexes,expressed as 5-Dy-X,are single-molecule magnets(SMMs)with properties dependent on the nature of the apical X ligand.
基金supported by the National Natural Science Foundation of China(21971006)National Key R&D Program of China(2018YFA0306003,2017YFA0206301,and 2017YFA0204903)High-Performance Computing Platform at Peking University.
文摘Symmetryandaxialityarethought tobeguides toward the pursuit of high energy barrier and blocking temperature for thedysprosium(Ⅲ)(Dy^(Ⅲ))single-molecule magnets(SMMs).The Dy^(Ⅲ)complexeswith low coordination numbers are intended to satisfy axial symmetry.Here,we report four four-coordinate Dy^(Ⅲ)SMMs based on bis(arylamido)dysprosium building block{Dy(N^(RR’))2(μ-Cl)_(2)K}(N^(RR’)={N(SiMe_(3))(C_(6)H_(3)iPr_(2)-2,6)}^(−)),with two strong Dy–N and twoweak Dy–Cl bonds.Through fine-tuning of axial anisotropy,the SMM with the largest N–Dy–N angle of 139.24(15)°displayed magnetic hysteresis with a coercive field(H_(c))of 18.6 kOe at 2 K,which kept opening up to 35 K.Alternating current susceptibility measurement showed that the relaxation energy barrier reached as high as 1578 K,which is among the highest reported Dy^(Ⅲ)SMMs.Ab initio calculations revealed strong anisotropy and crystal-field axiality of the compound,despite the low symmetry,and provided a synthetically workable approach to construct high-performance SMMs useful in applications such as digital processing,transport electronics,quantumcomputing,and ultra-high-density data storage.
基金supported by the National Key R&D Program of China(Grant No.2022YFB4600300)the National Natural Science Foundation of China(No.U22A20189,52175364)the China Scholarship Council(Grant No.202206290134)。
文摘Nd-Fe-B permanent magnets play a crucial role in energy conversion and electronic devices.The essential magnetic properties of Nd-Fe-B magnets,particularly coercivity and remanent magnetization,are significantly infuenced by the phase characteristics and microstructure.In this work,Nd-Fe-B magnets were manufactured using vacuum induction melting(VIM),laser directed energy deposition(LDED)and laser powder bed fusion(LPBF)technologies.Themicrostructure evolution and phase selection of Nd-Fe-B magnets were then clarified in detail.The results indicated that the solidification velocity(V)and cooling rate(R)are key factors in the phase selection.In terms of the VIM-casting Nd-Fe-B magnet,a large volume fraction of theα-Fe soft magnetic phase(39.7 vol.%)and Nd2Fe17Bxmetastable phase(34.7 vol.%)areformed due to the low R(2.3×10-1?C s-1),whereas only a minor fraction of the Nd2Fe14B hard magnetic phase(5.15 vol.%)is presented.For the LDED-processed Nd-Fe-B deposit,although the Nd2Fe14B hard magnetic phase also had a low value(3.4 vol.%)as the values of V(<10-2m s-1)and R(5.06×103?C s-1)increased,part of theα-Fe soft magnetic phase(31.7vol.%)is suppressed,and a higher volume of Nd2Fe17Bxmetastable phases(47.5 vol.%)areformed.As a result,both the VIM-casting and LDED-processed Nd-Fe-B deposits exhibited poor magnetic properties.In contrast,employing the high values of V(>10-2m s-1)and R(1.45×106?C s-1)in the LPBF process resulted in the substantial formation of the Nd2Fe14B hard magnetic phase(55.8 vol.%)directly from the liquid,while theα-Fe soft magnetic phase and Nd2Fe17Bxmetastable phase precipitation are suppressed in the LPBF-processed Nd-Fe-B magnet.Additionally,crystallographic texture analysis reveals that the LPBF-processedNd-Fe-B magnets exhibit isotropic magnetic characteristics.Consequently,the LPBF-processed Nd-Fe-B deposit,exhibiting a coercivity of 656 k A m-1,remanence of 0.79 T and maximum energy product of 71.5 k J m-3,achieved an acceptable magnetic performance,comparable to other additive manufacturing processed Nd-Fe-B magnets from MQP(Nd-lean)Nd-Fe-Bpowder.
文摘It is an appealing notion that a protein molecule could act as a nanomagnet.A genetically encodable biomolecule with a permanent magnetic moment at room temperature could have a range of applications:a magnetogenetic actuator,a magnetic tag for purifying and immobilizing enzymes,a contrast agent for magnetic resonance imaging,and a basis for a biomimetic magnetic sensing device,to name just a few.A magnetic protein could perhaps also function as the sensor in the magnetic compass that enables small songbirds to navigate the huge distances between their breeding and wintering grounds.Attractive though such possibilities may be,how realistic are they?
基金the National Key Research and De-velopment Program of China(Grant No.2021YFB3500300)the National Natural Science Foundation of China(Grant No.51931007)the Program of Top Disciplines Construc-tion in Beijing(Grant No.PXM2019014204500031).
文摘The Sm–Zr–Fe–Co–Ti quinary-alloys with ThMn12 structure has attracted wide attention for ultra-high intrinsic magnetic properties,showing potentiality to be developed into rare-earth permanent magnets.The Ti element in alloys is crucial for phase stability and magnetic properties,and lower Ti content can increase intrinsic magnetic properties but reduce phase stability.In this study,the 1:12 single-phase melt-spun ribbons with low Ti content was successfully prepared using a rapid solidification non-equilibrium method for the Sm1.1Zr_(0.2)Fe_(9.2)Co_(2.3)Ti_(0.5) quinary-alloy.However,this non-equilibrium ribbon did not achieve good magnetic hardening due to the uneven microstructure and microstrain.Then,annealing was carried out to eliminate micro-strain and homogenize microstructure,therefore,remanence and coercivity were significantly improved even the precipitation of a small amount of a-Fe phase which were not conducive to coercivity.The remanence of 86.1 emu/g and coercivity of 151 kA/m was achieved when annealing at 850℃ for 45 min.After hot pressing,under the action of high temperature and pressure,a small portion of ThMn12 phases in the magnet decompose into Sm-rich phases and a-Fe,while remanence of 4.02 kGs(1 Gs=10^(-4) T),and coercivity of 1.12 kOe(1 Oe=79.5775 A·m^(-1))were still acquired.Our findings can provide reference for exploring practical permanent magnets made of 1:12 type quinary-alloys.
基金funded by Ningbo Key R&D Plan and“Unveiling and Leading”(Grant No.2023Z093)Ningbo Science and Technology Innovation 2025 Major Special Project(Grant No.2022Z106)Hezhou City Central Leading Local Science and Technology Development Special Fund Project(Grant No.HK ZY2022002).
文摘The grain boundary phase affects the magnetic properties and corrosion resistance of sintered NdFeB magnets.In this work,a small amount of In was added to NdFeB magnets by induction melting to systematically investigate its effect on the evolution of the microstructure,magnetic properties and corrosion resistance of NdFeB magnets.Microstructural analysis illustrated that minor In addition generated more grain boundary phases and an abundant amorphous phase at the triple-junction grain boundary.While the addition of In failed to enhance the magnetic isolation effect between adjacent matrix grains,its incorporation fortuitously elevated the electrochemical potential of the In-containing magnets.Besides,during corrosion,an In-rich precipitate phase formed,hindering the ingress of the corrosive medium into the magnet.Consequently,this significantly bolstered the corrosion resistance of the sintered NdFeB magnets.The phase formation,magnetic properties and corrosion resistance of In-doped NdFeB magnets are detailed in this work,which provides new prospects for the preparation of high-performance sintered NdFeB magnets.
基金supported in part by the National Key Research and Development Program of China(No.2022YFA1603402)in part by the National Natural Science Foundation of China(No.11875272)。
文摘Currently,three types of superconducting quadrupole magnets are used in particle accelerators:cos 2θ,CCT,and serpentine.However,all three coil configurations have complex spatial geometries,which make magnet manufacturing and strain-sensitive superconductor applications difficult.Compared with the three existing quadrupole coils,the racetrack quadrupole coil has a simple shape and manufacturing process,but there have been few theoretical studies.In this paper,the two-dimensional and three-dimensional analytical expressions for the magnetic field in coil-dominated racetrack superconducting quadrupole magnets are presented.The analytical expressions of the field harmonics and gradient are fully resolved and depend only on the geometric parameters of the coil and current density.Then,a genetic algorithm is applied to obtain a solution for the coil geometry parameters with field harmonics on the order of 10^(-4).Finally,considering the practical engineering needs of the accelerator interaction region,electromagnetic design examples of racetrack quadrupole magnets with high gradients,large apertures,and small apertures are described,and the application prospects of racetrack quadrupole coils are analyzed.
基金the National Natural Science Foundation of China(Nos.52222701,52077211,and 52307034).
文摘The superconducting magnet system of a fusion reactor plays a vital role in plasma confinement,a process that can be dis-rupted by various operational factors.A critical parameter for evaluating the temperature margin of superconducting magnets during normal operation is the nuclear heating caused by D-T neutrons.This study investigates the impact of nuclear heat-ing on a superconducting magnet system by employing an improved analysis method that combines neutronics and thermal hydraulics.In the magnet system,toroidal field(TF)magnets are positioned closest to the plasma and bear the highest nuclear-heat load,making them prime candidates for evaluating the influence of nuclear heating on stability.To enhance the modeling accuracy and facilitate design modifications,a parametric TF model that incorporates heterogeneity is established to expedite the optimization design process and enhance the accuracy of the computations.A comparative analysis with a homogeneous TF model reveals that the heterogeneous model improves accuracy by over 12%.Considering factors such as heat load,magnetic-field strength,and cooling conditions,the cooling circuit facing the most severe conditions is selected to calculate the temperature of the superconductor.This selection streamlines the workload associated with thermal-hydraulic analysis.This approach enables a more efficient and precise evaluation of the temperature margin of TF magnets.Moreover,it offers insights that can guide the optimization of both the structure and cooling strategy of superconducting magnet systems.
