Excitons have significant impacts on the properties of semiconductors.They exhibit significantly different properties when a direct semiconductor turns in to an indirect one by doping.Huybrecht variational method is a...Excitons have significant impacts on the properties of semiconductors.They exhibit significantly different properties when a direct semiconductor turns in to an indirect one by doping.Huybrecht variational method is also found to influence the study of exciton ground state energy and ground state binding energy in Al_(x)Ga_(1−x)As semiconductor spherical quantum dots.The Al_(x)Ga_(1−x)As is considered to be a direct semiconductor at AI concentration below 0.45,and an indirect one at the concentration above 0.45.With regards to the former,the ground state binding energy increases and decreases with AI concentration and eigenfrequency,respectively;however,while the ground state energy increases with AI concentration,it is marginally influenced by eigenfrequency.On the other hand,considering the latter,while the ground state binding energy increases with AI concentration,it decreases with eigenfrequency;nevertheless,the ground state energy increases both with AI concentration and eigenfrequency.Hence,for the better practical performance of the semiconductors,the properties of the excitons are suggested to vary by adjusting AI concentration and eigenfrequency.展开更多
A multiple monopole(or multipole) method based on the generalized multipole technique(GMT) is proposed to calculate the band structures of scalar waves in two-dimensional phononic crystals which are composed of arbitr...A multiple monopole(or multipole) method based on the generalized multipole technique(GMT) is proposed to calculate the band structures of scalar waves in two-dimensional phononic crystals which are composed of arbitrarily shaped cylinders embedded in a host medium.In order to find the eigenvalues of the problem,besides the sources used to expand the wave field,an extra monopole source is introduced which acts as the external excitation.By varying the frequency of the excitation,the eigenvalues can be localized as the extreme points of an appropriately chosen function.By sweeping the frequency range of interest and sweeping the boundary of the irreducible first Brillouin zone,the band structure is obtained.Some numerical examples are presented to validate the proposed method.展开更多
A numerical method, the so-called multiple monopole(MMoP) method,based on the generalized multipole technique(GMT) is proposed to calculate the band structures of in-plane waves in two-dimensional phononic crystals, w...A numerical method, the so-called multiple monopole(MMoP) method,based on the generalized multipole technique(GMT) is proposed to calculate the band structures of in-plane waves in two-dimensional phononic crystals, which are composed of arbitrarily shaped cylinders embedded in a solid host medium. To find the eigenvalues(eigenfrequencies) of the problem, besides the sources used to expand the wave fields, an extra monopole source is introduced which acts as the external excitation. By varying the excitation frequency, the eigenvalues can be localized as the extreme points of an appropriately chosen function. By sweeping the frequency range of interest and the boundary of the irreducible first Brillouin zone(FBZ), the band structures can be obtained. Some typical numerical examples with different acoustic impedance ratios and with inclusions of various shapes are presented to validate the proposed method.展开更多
A radial basis function collocation method based on the nonlocal elastic continuum theory is developed to compute the band structures of nanoscale multilayered phononic crystals. The effects of nonlocal imperfect inte...A radial basis function collocation method based on the nonlocal elastic continuum theory is developed to compute the band structures of nanoscale multilayered phononic crystals. The effects of nonlocal imperfect interfaces on band structures of transverse waves propagating obliquely or vertically in the system are studied. The correctness of the present method is verified by comparing the numerical results with those obtained by applying the transfer matrix method in the case of nonlocal perfect interface. Furthermore, the influences of the nanoscale size, the impedance ratio and the incident angle on the cut-off frequency and band structures are investigated and discussed in detail. Numerical results show that the nonlocal interface imperfections have significant effects on the band structures in the macroscopic and microscopic scale.展开更多
A novel complex, [Mn(2-NCP)(H2BTC)(H2O)]n(1, 1,3,5-H3BTC = 1,3,5-benzenetricarboxylic acid, 2-HNCP = 2-(2-carboxyphenyl)-1 H-imidazo(4,5-f)-(1,10)phenanthroline), was hydrothermally synthesized and structurally charac...A novel complex, [Mn(2-NCP)(H2BTC)(H2O)]n(1, 1,3,5-H3BTC = 1,3,5-benzenetricarboxylic acid, 2-HNCP = 2-(2-carboxyphenyl)-1 H-imidazo(4,5-f)-(1,10)phenanthroline), was hydrothermally synthesized and structurally characterized by elemental analysis, IR, XRD and single-crystal X-ray diffraction. Structural analyses reveal that complex 1 exhibits a(6, 6)-connected topology network with a Schlafli symbol of(6^3). The adjacent 2D layers are further stacked via strong hydrogen-bonding interactions, giving a 3 D supramolecular framework. In addition, the structure of complex 1 was calculated by the B3LYP/LANL2 DZ method by Gaussian program. The results from natural bond orbital(NBO) analysis shows obvious covalent interaction between the coordinated atoms and Mn(Ⅱ) ion.展开更多
A new intermetallic compound, Sm3In5, has been synthesized by solid-state reaction of the corresponding pure elements in a welded niobium tube at high temperature. Its crystal structure was established by single-cryst...A new intermetallic compound, Sm3In5, has been synthesized by solid-state reaction of the corresponding pure elements in a welded niobium tube at high temperature. Its crystal structure was established by single-crystal X-ray diffraction. Sm3In5 crystallizes in orthorhombic, space group Cmcm with a = 10.0137(8), b = 8.1211(7), c = 10.3858(8) , V = 844.60(1) 3, Z = 4, Mr = 1025.15, Dc = 8.062 g/cm3, μ = 33.791 mm-1, F(000) = 1724, the final R = 0.0346 and wR = 0.0775 for 533 observed reflections with I > 2σ(I). The structure of Sm3In5 belongs to the modified Pu3Pd5 type. It is isostructural with La3In5 and β-Y3In5, containing one-dimensional (1D) [In5] cluster chains along the c-axis, which are weakly interconnected via In-In bonds (3.345 ) to form a three-dimensional (3D) structure. The samarium cations are located at the voids between the 1D [In5] cluster chains. Band structure calculations based on Density Function Theory (DFT) method indicate that Sm3In5 is metallic.展开更多
Using an improved particle swarm optimization algorithm(IPSO)to drive a transfer matrix method,a nonreciprocal absorber with an ultrawide absorption bandwidth and angular insensitivity is realized in plasma-embedded p...Using an improved particle swarm optimization algorithm(IPSO)to drive a transfer matrix method,a nonreciprocal absorber with an ultrawide absorption bandwidth and angular insensitivity is realized in plasma-embedded photonic crystals arranged in a structure composed of periodic and quasi-periodic sequences on a normalized scale.The effective dielectric function,which determines the absorption of the plasma,is subject to the basic parameters of the plasma,causing the absorption of the proposed absorber to be easily modulated by these parameters.Compared with other quasi-periodic sequences,the Octonacci sequence is superior both in relative bandwidth and absolute bandwidth.Under further optimization using IPSO with 14 parameters set to be optimized,the absorption characteristics of the proposed structure with different numbers of layers of the smallest structure unit N are shown and discussed.IPSO is also used to address angular insensitive nonreciprocal ultrawide bandwidth absorption,and the optimized result shows excellent unidirectional absorbability and angular insensitivity of the proposed structure.The impacts of the sequence number of quasi-periodic sequence M and collision frequency of plasma1ν1 to absorption in the angle domain and frequency domain are investigated.Additionally,the impedance match theory and the interference field theory are introduced to express the findings of the algorithm.展开更多
A new intermetallic compound,YbCu6In6,has been synthesized by solid-state reaction of the corresponding pure elements in a welded tantalum tube at high temperature.Its crystal structure was established by single-cryst...A new intermetallic compound,YbCu6In6,has been synthesized by solid-state reaction of the corresponding pure elements in a welded tantalum tube at high temperature.Its crystal structure was established by single-crystal X-ray diffraction.YbCu6In6 crystallizes in tetragonal space group I4/mmm with a = 9.2283(5),c = 5.4015(4),V = 460.00(5) 3,Z = 2,Mr = 1243.20,Dc = 8.976 g/cm3,μ = 38.243 mm-1,F(000) = 1076,and the final R = 0.0258 and wR = 0.0602 for 173 observed reflections with I > 2σ(I).The structure of YbCu6In6 belongs to the ThMn12 type.It is isostructural with RECu6In6(RE = Y,Ce,Pr,Nd,Gd,Tb,Dy),containing one-dimensional(1D) [Cu10In6] cluster chain along the c axis,which is interconnected via sharing the Cu(1) atoms to form a three-dimensional(3D) [Cu6In6] framework with Yb atoms encapsulated in the 1D tunnels along the c axis.Band structure calculations based on Density Functional Theory(DFT) method indicate that YbCu6In6 is metallic.展开更多
A new polar intermetallic compound, Eu3Sn5, has been synthesized by solid-state reaction of the corresponding pure elements in a stoichiometric ratio in a welded tantalum tube at high temperature. Its crystal structur...A new polar intermetallic compound, Eu3Sn5, has been synthesized by solid-state reaction of the corresponding pure elements in a stoichiometric ratio in a welded tantalum tube at high temperature. Its crystal structure was established by single-crystal X-ray diffraction. Eu3Sn5 crystallizes in orthorhombic, space group Cmcm with a = 10.466(11), b = 8.445(8), c = 10.662(12) , V = 942.4(17) 3, Z = 4, Mr = 1049.33, Dc = 7.396 g/cm3, μ = 32.578 mm-1, F(000) = 1756, the final R = 0.0236 and wR = 0.0472 for 535 observed reflections with I > 2σ(I). Its structure belongs to the modified Pu3Pd5 type. It is isostructural with Sr3Sn5 and Ba3Sn5, featuring [Sn5] square pyramidal clusters described as "arachno" according to the Wade-Mingos electron counting rules. The europium cations are located at the voids between the square pyramidal clusters. Results of the extended Hückel band structure calculations indicate that Eu3Sn5 is metallic.展开更多
A new intermetallic compound,Tb3Co4Sn13,has been synthesized by solid-state reaction of the corresponding pure elements in a welded tantalum tube at high temperature.Its crystal structure was established by single-cry...A new intermetallic compound,Tb3Co4Sn13,has been synthesized by solid-state reaction of the corresponding pure elements in a welded tantalum tube at high temperature.Its crystal structure was established by single-crystal X-ray diffraction.Tb3Co4Sn13 crystallizes in cubic,space group Pm3n(No.223) with a = 9.5072(2) ,V = 859.33(3) 3,Z = 2,Mr = 2255.45,Dc = 8.717 g/cm3,μ = 34.369 mm-1,F(000) = 1906,and the final R = 0.0140 and wR = 0.0312 for 199 observed reflections with I > 2σ(I).The structure of Tb3Co4Sn13 belongs to the Yb3Rh4Sn13 type.It is isostructural with RE3Co4Sn13(RE = La,Ce),featuring a 3D [Co4Sn12] framework based on [CoSn6] trigonal prisms.The [CoSn6] trigonal prisms are interconnected via corner-sharing and Sn-Sn bonds to form a 3D [Co4Sn12] framework.The other Sn and Tb atoms are located in the spacers of the 3D framework.Band structure calculations indicate that Tb3Co4Sn13 is metallic.展开更多
In this paper,the elastic wave propagation in atwo-dimensional piezoelectric phononic crystal is studiedby considering the mechanic-electric coupling.The gener-alized eigenvalue equation is obtained by the relation of...In this paper,the elastic wave propagation in atwo-dimensional piezoelectric phononic crystal is studiedby considering the mechanic-electric coupling.The gener-alized eigenvalue equation is obtained by the relation of themechanic and electric fields as well as the Bloch-Floquet the-orem.The band structures of both the in-plane and anti-planemodes are calculated for a rectangular lattice by the plane-wave expansion method.The effects of the lattice constantratio and the piezoelectricity with different filling fractionsare analyzed.The results show that the largest gap width isnot always obtained for a square lattice.In some situations,a rectangular lattice may generate larger gaps.The band gapcharacteristics are influenced obviously by the piezoelectric-ity with the larger lattice constant ratios and the filling frac-tions.展开更多
Band gaps of 2D phononic crystal with orthotropic cylindrical fillers embedded in the isotropic host are studied in this paper.Two kinds of periodic structures,namely,the square lattice and the triangle lattice,are co...Band gaps of 2D phononic crystal with orthotropic cylindrical fillers embedded in the isotropic host are studied in this paper.Two kinds of periodic structures,namely,the square lattice and the triangle lattice,are considered.For anisotropic phononic crystal,band gaps not only depend on the periodic lattice but also the angle between the symmetry axis of orthotropic material and that of the periodic structure.Rotating these cylindrical fillers makes the angle changing continuously;as a result,pass bands and forbidden bands of the phononic crystal are changed.The plane wave expansion method is used to reduce the band gap problem to an eigenvalue problem.The numerical example is given for YBCO/Epoxy composites.The location and the width of band gaps are estimated for different rotating angles.The influence of anisotropy on band gaps is discussed based on numerical results.展开更多
In this paper, a method based on the Dirichlet-to-Neumann map is developed for bandgap calculation of mixed in-plane waves propagating in 2D phononic crystals with square and triangular lattices. The method expresses ...In this paper, a method based on the Dirichlet-to-Neumann map is developed for bandgap calculation of mixed in-plane waves propagating in 2D phononic crystals with square and triangular lattices. The method expresses the scattered fields in a unit cell as the cylindrical wave expansions and imposes the Bloch condition on the boundary of the unit cell. The Dirichlet-to-Neumann (DtN) map is applied to obtain a linear eigenvalue equation, from which the Bloch wave vectors along the irreducible Brillouin zone are calculated for a given frequency. Compared with other methods, the present method is memory-saving and time-saving. It can yield accurate results with fast convergence for various material combinations including those with large acous- tic mismatch without extra computational cost. The method is also efficient for mixed fluid-solid systems because it considers the different wave modes in the fluid and solid as well as the proper fluid-solid interface condition.展开更多
Using the plane-wave expansion method, the spin-wave band structures of two-dimensional magnonic crystals consisting of square arrays of different shape scatterers are calculated numerically, and the effects of rotati...Using the plane-wave expansion method, the spin-wave band structures of two-dimensional magnonic crystals consisting of square arrays of different shape scatterers are calculated numerically, and the effects of rotating rectangle and hexagon scaterers on the gaps are studied, respectively. The results show that the gaps can be substantially opened and tuned by rotating the scatterers. This approach should be helpful in designing magnonic crystals with desired gaps.展开更多
A Schiff base DSH(DSH =(4-dipropylanilino-styryl) hydrazine) has been synthesized and fully characterized by ~1H NMR, ^(13)C NMR, ESI-MS, elemental analysis and single-crystal X-ray diffraction analysis. It crystalliz...A Schiff base DSH(DSH =(4-dipropylanilino-styryl) hydrazine) has been synthesized and fully characterized by ~1H NMR, ^(13)C NMR, ESI-MS, elemental analysis and single-crystal X-ray diffraction analysis. It crystallizes in triclinic, space group P1, with a = 8.447(5), b = 10.543(5), c = 14.540(5) ?, α = 78.600(5), β = 78.222(5), γ = 78.247(5)°, V = 1225(1) ?~3, Z = 2, D_c = 1.103 g/m^3, F(000) = 444, Μr = 406.60, μ = 0.066 mm^(-1), the final R = 0.0414 and wR = 0.1065 for 8691 observed reflections with I > 2(I). The structural analysis revealed that the molecule possesses good planar structure. The absorption spectra and one-photon fluorescence in different solvents were experimentally studied. The result indicates that the compound exhibits intense fluorescent emission bands in protic solvents, such as ethanol and methanol. Quantum chemical calculations based on time-dependent density functional theory(TD-DFT) at the level of TD-DFT/B3LYP/6-31G were performed to investigate the UV absorption spectrum, and influence of solvents on the fluorescence spectra is analyzed based on the optimized structure at the level of B3LYP/6-31G(d).展开更多
In this study,the propagation of electromagnetic waves in one-dimensional plasmaphotonic crystals(PPCs),namely,superlattice structures consisting alternately of a homogeneousunmagnetized plasma and dielectric material...In this study,the propagation of electromagnetic waves in one-dimensional plasmaphotonic crystals(PPCs),namely,superlattice structures consisting alternately of a homogeneousunmagnetized plasma and dielectric material,is simulated numerically using the finite-differencetime-domain(FDTD)algorithm.A perfectly matched layer(PML)absorbing technique is usedin this simulation.The reflection and transmission coefficients of electromagnetic(EM)wavesthrough PPCs are calculated.The characteristics of the photonic band gap(PBG)are discussedin terms of plasma density,dielectric constant ratios,number of periods,and introduced layerdefect.These may provide some useful information for designing plasma photonic crystal devices.展开更多
The crystal of the title compound (InP3O9, Mr = 351.73) has been prepared and structurally determined by X-ray single-crystal diffraction. It crystallizes in the monoclinic system, space group Cc with a = 13.545(6), b...The crystal of the title compound (InP3O9, Mr = 351.73) has been prepared and structurally determined by X-ray single-crystal diffraction. It crystallizes in the monoclinic system, space group Cc with a = 13.545(6), b = 19.603(7), c = 9.672(4) ?, β = 127.196(4)°, V = 2045.6(14) ?3 and Z = 12. The compound, with a three-fold superstructure, has two kinds of infinite chains of PO4 tetrahedra along the c axis. The absorption and luminescence spectra of In(PO3)3 powder have been measured. The calculated results of crystal energy band structure by DFT indicate that the solid state is kind of insulator. What is more, the bonding and optical properties were also investigated with the CASTEP code.展开更多
基金supported by the National Natural Science Foundation of China(Nos.12164032 and 11964026)the Natural Science Foundation of Inner Mongolia(No.2019MS01010)+3 种基金Scientific Research Projects in Colleges and Universities in Inner Mongolia(No.NJZZ19145)Graduate Science Innovative Research Projects(No.S20210281Z)the Natural Science Foundation of Inner Mongolia(No.2022MS01014)Doctor Research Start-up Fund of Inner Mongolia Minzu University(No.BS625).
文摘Excitons have significant impacts on the properties of semiconductors.They exhibit significantly different properties when a direct semiconductor turns in to an indirect one by doping.Huybrecht variational method is also found to influence the study of exciton ground state energy and ground state binding energy in Al_(x)Ga_(1−x)As semiconductor spherical quantum dots.The Al_(x)Ga_(1−x)As is considered to be a direct semiconductor at AI concentration below 0.45,and an indirect one at the concentration above 0.45.With regards to the former,the ground state binding energy increases and decreases with AI concentration and eigenfrequency,respectively;however,while the ground state energy increases with AI concentration,it is marginally influenced by eigenfrequency.On the other hand,considering the latter,while the ground state binding energy increases with AI concentration,it decreases with eigenfrequency;nevertheless,the ground state energy increases both with AI concentration and eigenfrequency.Hence,for the better practical performance of the semiconductors,the properties of the excitons are suggested to vary by adjusting AI concentration and eigenfrequency.
基金supported by the National Natural Science Foundation of China(Nos.51178037 and10632020)the German Research Foundation(DFG)(Nos.ZH 15/11-1 and ZH 15/16-1)+1 种基金the International Bureau of the German Federal Ministry of Education and Research(BMBF)(No.CHN11/045)the National Basic Research Program of China(No.2010CB732104)
文摘A multiple monopole(or multipole) method based on the generalized multipole technique(GMT) is proposed to calculate the band structures of scalar waves in two-dimensional phononic crystals which are composed of arbitrarily shaped cylinders embedded in a host medium.In order to find the eigenvalues of the problem,besides the sources used to expand the wave field,an extra monopole source is introduced which acts as the external excitation.By varying the frequency of the excitation,the eigenvalues can be localized as the extreme points of an appropriately chosen function.By sweeping the frequency range of interest and sweeping the boundary of the irreducible first Brillouin zone,the band structure is obtained.Some numerical examples are presented to validate the proposed method.
基金Project supported by the National Natural Science Foundation of China(No.10632020)the German Research Foundation(Nos.ZH 15/11-1 and ZH 15/16-1)+1 种基金the International Bureau of the German Federal Ministry of Education and Research(No.CHN 11/045)the National Basic Research Program of China(No.2010CB732104)
文摘A numerical method, the so-called multiple monopole(MMoP) method,based on the generalized multipole technique(GMT) is proposed to calculate the band structures of in-plane waves in two-dimensional phononic crystals, which are composed of arbitrarily shaped cylinders embedded in a solid host medium. To find the eigenvalues(eigenfrequencies) of the problem, besides the sources used to expand the wave fields, an extra monopole source is introduced which acts as the external excitation. By varying the excitation frequency, the eigenvalues can be localized as the extreme points of an appropriately chosen function. By sweeping the frequency range of interest and the boundary of the irreducible first Brillouin zone(FBZ), the band structures can be obtained. Some typical numerical examples with different acoustic impedance ratios and with inclusions of various shapes are presented to validate the proposed method.
基金This work was supported by the Natural Science Foundation of Hu＇nan Province （Grant No. 00JJY2072） the Foundation of Educational Committee of Hu＇nan Province （Grant No. 01B019）.
基金supports by the National Natural Science Foundation of China (Grants 11002026, 11372039)the Beijing Natural Science Foundation (Grant 3133039)the Scientific Research Foundation for the Returned (Grant 20121832001)
文摘A radial basis function collocation method based on the nonlocal elastic continuum theory is developed to compute the band structures of nanoscale multilayered phononic crystals. The effects of nonlocal imperfect interfaces on band structures of transverse waves propagating obliquely or vertically in the system are studied. The correctness of the present method is verified by comparing the numerical results with those obtained by applying the transfer matrix method in the case of nonlocal perfect interface. Furthermore, the influences of the nanoscale size, the impedance ratio and the incident angle on the cut-off frequency and band structures are investigated and discussed in detail. Numerical results show that the nonlocal interface imperfections have significant effects on the band structures in the macroscopic and microscopic scale.
基金supported by the National Natural Science Foundation of China(No.21576112)the Project of Department of Science&Technology of Jilin Province(No.20180623042TC)+3 种基金Natural Science Foundation Project of Jilin Province(No.20170520143JH)the China Postdoctoral Science Foundation(No.2017M611732)the Science and Technology Research Projects of the Education Department of Jilin Province(No.JJKH20180791KJ)the Science and Technology Development Plan of Siping City(2017056)
文摘A novel complex, [Mn(2-NCP)(H2BTC)(H2O)]n(1, 1,3,5-H3BTC = 1,3,5-benzenetricarboxylic acid, 2-HNCP = 2-(2-carboxyphenyl)-1 H-imidazo(4,5-f)-(1,10)phenanthroline), was hydrothermally synthesized and structurally characterized by elemental analysis, IR, XRD and single-crystal X-ray diffraction. Structural analyses reveal that complex 1 exhibits a(6, 6)-connected topology network with a Schlafli symbol of(6^3). The adjacent 2D layers are further stacked via strong hydrogen-bonding interactions, giving a 3 D supramolecular framework. In addition, the structure of complex 1 was calculated by the B3LYP/LANL2 DZ method by Gaussian program. The results from natural bond orbital(NBO) analysis shows obvious covalent interaction between the coordinated atoms and Mn(Ⅱ) ion.
基金supported by the Youth Science Foundation of Jining University (2009QNKJ07 and 2009QNKJ04)
文摘A new intermetallic compound, Sm3In5, has been synthesized by solid-state reaction of the corresponding pure elements in a welded niobium tube at high temperature. Its crystal structure was established by single-crystal X-ray diffraction. Sm3In5 crystallizes in orthorhombic, space group Cmcm with a = 10.0137(8), b = 8.1211(7), c = 10.3858(8) , V = 844.60(1) 3, Z = 4, Mr = 1025.15, Dc = 8.062 g/cm3, μ = 33.791 mm-1, F(000) = 1724, the final R = 0.0346 and wR = 0.0775 for 533 observed reflections with I > 2σ(I). The structure of Sm3In5 belongs to the modified Pu3Pd5 type. It is isostructural with La3In5 and β-Y3In5, containing one-dimensional (1D) [In5] cluster chains along the c-axis, which are weakly interconnected via In-In bonds (3.345 ) to form a three-dimensional (3D) structure. The samarium cations are located at the voids between the 1D [In5] cluster chains. Band structure calculations based on Density Function Theory (DFT) method indicate that Sm3In5 is metallic.
文摘Using an improved particle swarm optimization algorithm(IPSO)to drive a transfer matrix method,a nonreciprocal absorber with an ultrawide absorption bandwidth and angular insensitivity is realized in plasma-embedded photonic crystals arranged in a structure composed of periodic and quasi-periodic sequences on a normalized scale.The effective dielectric function,which determines the absorption of the plasma,is subject to the basic parameters of the plasma,causing the absorption of the proposed absorber to be easily modulated by these parameters.Compared with other quasi-periodic sequences,the Octonacci sequence is superior both in relative bandwidth and absolute bandwidth.Under further optimization using IPSO with 14 parameters set to be optimized,the absorption characteristics of the proposed structure with different numbers of layers of the smallest structure unit N are shown and discussed.IPSO is also used to address angular insensitive nonreciprocal ultrawide bandwidth absorption,and the optimized result shows excellent unidirectional absorbability and angular insensitivity of the proposed structure.The impacts of the sequence number of quasi-periodic sequence M and collision frequency of plasma1ν1 to absorption in the angle domain and frequency domain are investigated.Additionally,the impedance match theory and the interference field theory are introduced to express the findings of the algorithm.
基金Supported by the National Natural Science Foundation of China (No. 21101075)the research foundation for excellent young and middle-aged scientists of Shandong Province (No. BS2011CL009)+2 种基金the Science & Research Program foundation of high education of Shandong Province (No. J11LB52)the Rehearsal National Foundation of Jining University (Nos. 2011YYJJ06 and 2011YYJJ07)the Youths Science Foundation of Jining University (No. 2011QNKJ07)
文摘A new intermetallic compound,YbCu6In6,has been synthesized by solid-state reaction of the corresponding pure elements in a welded tantalum tube at high temperature.Its crystal structure was established by single-crystal X-ray diffraction.YbCu6In6 crystallizes in tetragonal space group I4/mmm with a = 9.2283(5),c = 5.4015(4),V = 460.00(5) 3,Z = 2,Mr = 1243.20,Dc = 8.976 g/cm3,μ = 38.243 mm-1,F(000) = 1076,and the final R = 0.0258 and wR = 0.0602 for 173 observed reflections with I > 2σ(I).The structure of YbCu6In6 belongs to the ThMn12 type.It is isostructural with RECu6In6(RE = Y,Ce,Pr,Nd,Gd,Tb,Dy),containing one-dimensional(1D) [Cu10In6] cluster chain along the c axis,which is interconnected via sharing the Cu(1) atoms to form a three-dimensional(3D) [Cu6In6] framework with Yb atoms encapsulated in the 1D tunnels along the c axis.Band structure calculations based on Density Functional Theory(DFT) method indicate that YbCu6In6 is metallic.
基金National Natural Science Foundation of China (Nos. 20573113 and 20521101) NSF of Fujian Province (No. E0420003)
文摘A new polar intermetallic compound, Eu3Sn5, has been synthesized by solid-state reaction of the corresponding pure elements in a stoichiometric ratio in a welded tantalum tube at high temperature. Its crystal structure was established by single-crystal X-ray diffraction. Eu3Sn5 crystallizes in orthorhombic, space group Cmcm with a = 10.466(11), b = 8.445(8), c = 10.662(12) , V = 942.4(17) 3, Z = 4, Mr = 1049.33, Dc = 7.396 g/cm3, μ = 32.578 mm-1, F(000) = 1756, the final R = 0.0236 and wR = 0.0472 for 535 observed reflections with I > 2σ(I). Its structure belongs to the modified Pu3Pd5 type. It is isostructural with Sr3Sn5 and Ba3Sn5, featuring [Sn5] square pyramidal clusters described as "arachno" according to the Wade-Mingos electron counting rules. The europium cations are located at the voids between the square pyramidal clusters. Results of the extended Hückel band structure calculations indicate that Eu3Sn5 is metallic.
基金Project supported by National Natural Science Foundation of China （Grant No 50575222） and the State Key Development Program for Basic Research of China （Grant No 51307）.
基金supported by the Youth Science Foundation of Jining University (2009QNKJ07)
文摘A new intermetallic compound,Tb3Co4Sn13,has been synthesized by solid-state reaction of the corresponding pure elements in a welded tantalum tube at high temperature.Its crystal structure was established by single-crystal X-ray diffraction.Tb3Co4Sn13 crystallizes in cubic,space group Pm3n(No.223) with a = 9.5072(2) ,V = 859.33(3) 3,Z = 2,Mr = 2255.45,Dc = 8.717 g/cm3,μ = 34.369 mm-1,F(000) = 1906,and the final R = 0.0140 and wR = 0.0312 for 199 observed reflections with I > 2σ(I).The structure of Tb3Co4Sn13 belongs to the Yb3Rh4Sn13 type.It is isostructural with RE3Co4Sn13(RE = La,Ce),featuring a 3D [Co4Sn12] framework based on [CoSn6] trigonal prisms.The [CoSn6] trigonal prisms are interconnected via corner-sharing and Sn-Sn bonds to form a 3D [Co4Sn12] framework.The other Sn and Tb atoms are located in the spacers of the 3D framework.Band structure calculations indicate that Tb3Co4Sn13 is metallic.
基金the National Natural Science Foundation of China (10672017 and 10632020)
文摘In this paper,the elastic wave propagation in atwo-dimensional piezoelectric phononic crystal is studiedby considering the mechanic-electric coupling.The gener-alized eigenvalue equation is obtained by the relation of themechanic and electric fields as well as the Bloch-Floquet the-orem.The band structures of both the in-plane and anti-planemodes are calculated for a rectangular lattice by the plane-wave expansion method.The effects of the lattice constantratio and the piezoelectricity with different filling fractionsare analyzed.The results show that the largest gap width isnot always obtained for a square lattice.In some situations,a rectangular lattice may generate larger gaps.The band gapcharacteristics are influenced obviously by the piezoelectric-ity with the larger lattice constant ratios and the filling frac-tions.
基金supported by the National Natural Science Foundation of China (No.10672019)
文摘Band gaps of 2D phononic crystal with orthotropic cylindrical fillers embedded in the isotropic host are studied in this paper.Two kinds of periodic structures,namely,the square lattice and the triangle lattice,are considered.For anisotropic phononic crystal,band gaps not only depend on the periodic lattice but also the angle between the symmetry axis of orthotropic material and that of the periodic structure.Rotating these cylindrical fillers makes the angle changing continuously;as a result,pass bands and forbidden bands of the phononic crystal are changed.The plane wave expansion method is used to reduce the band gap problem to an eigenvalue problem.The numerical example is given for YBCO/Epoxy composites.The location and the width of band gaps are estimated for different rotating angles.The influence of anisotropy on band gaps is discussed based on numerical results.
基金Project supported by the National High Technology Research and Development Program of China （Grant No 2003AA311020）, the National Natural Science Foundation of China （Grant No 90301007）, the Special Funds for Major State Basic Research Program of China （Grant No G001CB3095）.
基金supported by the National Natural Science Foundation of China(51178037,10632020)the 973 State Key Development Program for Basic Research of China(2010CB732104)
文摘In this paper, a method based on the Dirichlet-to-Neumann map is developed for bandgap calculation of mixed in-plane waves propagating in 2D phononic crystals with square and triangular lattices. The method expresses the scattered fields in a unit cell as the cylindrical wave expansions and imposes the Bloch condition on the boundary of the unit cell. The Dirichlet-to-Neumann (DtN) map is applied to obtain a linear eigenvalue equation, from which the Bloch wave vectors along the irreducible Brillouin zone are calculated for a given frequency. Compared with other methods, the present method is memory-saving and time-saving. It can yield accurate results with fast convergence for various material combinations including those with large acous- tic mismatch without extra computational cost. The method is also efficient for mixed fluid-solid systems because it considers the different wave modes in the fluid and solid as well as the proper fluid-solid interface condition.
基金supported by the National Natural Science Foundation of China(Grant Nos.11264028 and 11072104)the Natural Science Foundation of Inner Mongolia Autonomous Region of China(Grant No.2012MS0114)the School Scientific Research Funds of Inner Mongolia Normal University of China(Grant Nos.2013YJRC007 and 2013ZRYB19)
文摘Using the plane-wave expansion method, the spin-wave band structures of two-dimensional magnonic crystals consisting of square arrays of different shape scatterers are calculated numerically, and the effects of rotating rectangle and hexagon scaterers on the gaps are studied, respectively. The results show that the gaps can be substantially opened and tuned by rotating the scatterers. This approach should be helpful in designing magnonic crystals with desired gaps.
基金Supported by the National Natural Science Foundation of China(21401024,21402029)Natural Science Foundation of Anhui Province(1508085MB21)+5 种基金Science and Technology Plan Project of Anhui Province(1301042112)National Students Research Training Program(201510371013)Students Research Training Program of Education Committee of Anhui Province(201510371040)Natural Science Foundation of Education Committee of Anhui Province(2014KJ015,KJ2016A550)Doctoral Startup Foundation of Fuyang Normal College(FSB201501010)Major Incubator Fund in Science and Technology of Fuyang Normal College(KJFH201606)
文摘A Schiff base DSH(DSH =(4-dipropylanilino-styryl) hydrazine) has been synthesized and fully characterized by ~1H NMR, ^(13)C NMR, ESI-MS, elemental analysis and single-crystal X-ray diffraction analysis. It crystallizes in triclinic, space group P1, with a = 8.447(5), b = 10.543(5), c = 14.540(5) ?, α = 78.600(5), β = 78.222(5), γ = 78.247(5)°, V = 1225(1) ?~3, Z = 2, D_c = 1.103 g/m^3, F(000) = 444, Μr = 406.60, μ = 0.066 mm^(-1), the final R = 0.0414 and wR = 0.1065 for 8691 observed reflections with I > 2(I). The structural analysis revealed that the molecule possesses good planar structure. The absorption spectra and one-photon fluorescence in different solvents were experimentally studied. The result indicates that the compound exhibits intense fluorescent emission bands in protic solvents, such as ethanol and methanol. Quantum chemical calculations based on time-dependent density functional theory(TD-DFT) at the level of TD-DFT/B3LYP/6-31G were performed to investigate the UV absorption spectrum, and influence of solvents on the fluorescence spectra is analyzed based on the optimized structure at the level of B3LYP/6-31G(d).
基金supported by the Program for New Century Excellent Talents in University(No.NCET-05-0575)the Education Science Foundation of Jiangxi Province(No.Z-03510)
文摘In this study,the propagation of electromagnetic waves in one-dimensional plasmaphotonic crystals(PPCs),namely,superlattice structures consisting alternately of a homogeneousunmagnetized plasma and dielectric material,is simulated numerically using the finite-differencetime-domain(FDTD)algorithm.A perfectly matched layer(PML)absorbing technique is usedin this simulation.The reflection and transmission coefficients of electromagnetic(EM)wavesthrough PPCs are calculated.The characteristics of the photonic band gap(PBG)are discussedin terms of plasma density,dielectric constant ratios,number of periods,and introduced layerdefect.These may provide some useful information for designing plasma photonic crystal devices.
基金This work was supported by the National Natural Science Foundation of China (No. 90201015), Natural Science Foundation of Fujian Province (No. E0210028, and No. 2002F010) and State Key Laboratory of Structural Chemistry (No. 030060)
文摘The crystal of the title compound (InP3O9, Mr = 351.73) has been prepared and structurally determined by X-ray single-crystal diffraction. It crystallizes in the monoclinic system, space group Cc with a = 13.545(6), b = 19.603(7), c = 9.672(4) ?, β = 127.196(4)°, V = 2045.6(14) ?3 and Z = 12. The compound, with a three-fold superstructure, has two kinds of infinite chains of PO4 tetrahedra along the c axis. The absorption and luminescence spectra of In(PO3)3 powder have been measured. The calculated results of crystal energy band structure by DFT indicate that the solid state is kind of insulator. What is more, the bonding and optical properties were also investigated with the CASTEP code.
