In this paper, we perform the density functional theory （DFT） -based calculations by the first-principles pseudopo- tential method to investigate the physical properties of the newly discovered superconductor LaRu2A...In this paper, we perform the density functional theory （DFT） -based calculations by the first-principles pseudopo- tential method to investigate the physical properties of the newly discovered superconductor LaRu2As2 for the first time. The optimized structural parameters are in good agreement with the experimental results. The calculated independent elas- tic constants ensure the mechanical stability of the compound. The calculated Cauchy pressure, Pugh＇s ratio as well as Poisson＇s ratio indicate that LaRu2As2 should behave as a ductile material. Due to low Debye temperature, LaRu2As2 may be used as a thermal barrier coating （TBC） material. The new compound should exhibit metallic nature as its valence bands overlap considerably with the conduction bands. LaRu2As2 is expected to be a soft material and easily machinable because of its low hardness value of 6.8 GPa. The multi-band nature is observed in the calculated Fermi surface. A highly anisotropic combination of ionic, covalent and metallic interactions is expected to be in accordance with charge density calculation.展开更多
We report robust superconducting state and gap symmetry of Nb5Ir3O via electrical transport and specific heat measurements. The analysis of specific heat manifests that Nb5Ir3O is a strongly coupled superconductor wi...We report robust superconducting state and gap symmetry of Nb5Ir3O via electrical transport and specific heat measurements. The analysis of specific heat manifests that Nb5Ir3O is a strongly coupled superconductor with ΔC/γnTc ~ 1.91 and double s-wave superconducting gaps of 2ΔL(0)/kBTc ~ 6.56 and 2ΔS(0)/kBTc ~ 2.36 accounting for 90% and 10%,respectively. The(Cp-γnT)/T^3 vs. T plot shows a broad peak at ~ 23 K, indicating phonon softening and the appearance of low-lying phonon mode associated with the interstitial oxygen. This behavior explains the monotonic increase of Tc in Nb5Ir3O(1-δ)by strengthening the electron-phonon coupling and enlarging the density of states at Fermi level. The Hall coefficient is temperature independent below 200 K, and changes its sign from positive to negative above 250 K, suggesting that carrier is across the hole-to electron-dominant regions and the multi-band electronic structures. On warming, the resistivity shows a gradual crossover from T^2-to T^3-dependence at a critical temperature T^*, and a broad peak at a temperature Tp. The reduced Tc under pressure is linearly correlated with lattice parameters c/a ratio and Tp, suggesting the important phonon contributions in Nb5Ir3O as a phonon-medicated superconductor. Possible physical mechanisms are proposed.展开更多
Iron-based superconductors include pnictides and chalcogenides.So far,the chalcogenides are much fewer in number[1],thus it is particularly valuable to find new superconductors in iron chalcogenides,for the'ultima...Iron-based superconductors include pnictides and chalcogenides.So far,the chalcogenides are much fewer in number[1],thus it is particularly valuable to find new superconductors in iron chalcogenides,for the'ultimate'understanding of iron-based superconductivity.The tetragonal binary iron selenide(β-Fe1+δSe)is the structurally simplest iron-based superconductor with a superconducting critical temperature(Tc)of 8.5 K at ambient pressure[2].By intercalation of alkali metal ions into展开更多
顶部籽晶熔融织构生长法(TSMTG)是制备大尺寸单畴YBCO超导块材最有效的方法之一,然而,TSMTG法却存在着样品易收缩、变形等严重问题.为了解决这一问题,人们发明了顶部籽晶熔渗生长法(TSIG).但传统的TSIG法需要制备Y2Ba Cu O5(Y211),YBa2C...顶部籽晶熔融织构生长法(TSMTG)是制备大尺寸单畴YBCO超导块材最有效的方法之一,然而,TSMTG法却存在着样品易收缩、变形等严重问题.为了解决这一问题,人们发明了顶部籽晶熔渗生长法(TSIG).但传统的TSIG法需要制备Y2Ba Cu O5(Y211),YBa2Cu3Oy(Y123),Ba Cu O2三种粉体,不仅过程复杂、费时费力、耗能污染,且最大的缺陷是无法控制样品中的Y211粒子含量.为了解决这些技术难题,发明了一种新TSIG法,用Y2O3+1.2Ba Cu O2混合粉替代传统的Y211固相源,用Y2O3,Ba Cu O2和Cu O混合粉替代传统的(Y123+3Ba Cu O2+2Cu O)液相源.采用这种新TSIG法,成功地制备出了直径为59和93 mm的单畴YBCO超导块材.通过对采用传统和新TSIG法制备单畴YBCO超导块材的生长速率、磁悬浮力和微观结构的研究发现:(1)采用新TSIG法后,YBCO超导块材的生长速率达到传统方法的1.7倍;(2)采用新TSIG法制备的单畴YBCO超导块材的磁悬浮力比传统方法制备的样品高出65%以上;(3)采用新TSIG法制备单畴YBCO超导块材,样品中的Y211粒子平均粒径约为1μm,明显小于传统TSIG方法所制备样品的3.4μm,而且分布更合理、均匀,有效地提高了样品的磁通钉扎能力.在此基础上,制备出了目前国内最大尺寸(直径93 mm)单畴YBCO超导块材.这些结果表明,新TSIG法对于促进低成本、大尺寸、高质量单畴REBCO超导块材的产业化及其应用进程具有非常重要的指导意义和实用价值.展开更多
文摘In this paper, we perform the density functional theory （DFT） -based calculations by the first-principles pseudopo- tential method to investigate the physical properties of the newly discovered superconductor LaRu2As2 for the first time. The optimized structural parameters are in good agreement with the experimental results. The calculated independent elas- tic constants ensure the mechanical stability of the compound. The calculated Cauchy pressure, Pugh＇s ratio as well as Poisson＇s ratio indicate that LaRu2As2 should behave as a ductile material. Due to low Debye temperature, LaRu2As2 may be used as a thermal barrier coating （TBC） material. The new compound should exhibit metallic nature as its valence bands overlap considerably with the conduction bands. LaRu2As2 is expected to be a soft material and easily machinable because of its low hardness value of 6.8 GPa. The multi-band nature is observed in the calculated Fermi surface. A highly anisotropic combination of ionic, covalent and metallic interactions is expected to be in accordance with charge density calculation.
基金Project supported by the National Key Research and Development Program of China(Grant Nos.2018YFA0305700 and 2018YFA0305800)JSPS Kakenhi(Grant No.17H06153)+4 种基金the Strategic Priority Research Program and Key Research Program of Frontier Sciences of the Chinese Academy of Sciences(Grant Nos.XDB25000000 and QYZDB-SSW-SLH013)the National Natural Science Foundation of China(Grant No.11574377)Beijing Natural Science Foundation,China(Grant No.Z190008)IOP Hundred-Talent Program,China(Grant No.Y7K5031×61)the Youth Promotion Association,Chinese Academy of Sciences(Grant No.2018010)
文摘We report robust superconducting state and gap symmetry of Nb5Ir3O via electrical transport and specific heat measurements. The analysis of specific heat manifests that Nb5Ir3O is a strongly coupled superconductor with ΔC/γnTc ~ 1.91 and double s-wave superconducting gaps of 2ΔL(0)/kBTc ~ 6.56 and 2ΔS(0)/kBTc ~ 2.36 accounting for 90% and 10%,respectively. The(Cp-γnT)/T^3 vs. T plot shows a broad peak at ~ 23 K, indicating phonon softening and the appearance of low-lying phonon mode associated with the interstitial oxygen. This behavior explains the monotonic increase of Tc in Nb5Ir3O(1-δ)by strengthening the electron-phonon coupling and enlarging the density of states at Fermi level. The Hall coefficient is temperature independent below 200 K, and changes its sign from positive to negative above 250 K, suggesting that carrier is across the hole-to electron-dominant regions and the multi-band electronic structures. On warming, the resistivity shows a gradual crossover from T^2-to T^3-dependence at a critical temperature T^*, and a broad peak at a temperature Tp. The reduced Tc under pressure is linearly correlated with lattice parameters c/a ratio and Tp, suggesting the important phonon contributions in Nb5Ir3O as a phonon-medicated superconductor. Possible physical mechanisms are proposed.
文摘Iron-based superconductors include pnictides and chalcogenides.So far,the chalcogenides are much fewer in number[1],thus it is particularly valuable to find new superconductors in iron chalcogenides,for the'ultimate'understanding of iron-based superconductivity.The tetragonal binary iron selenide(β-Fe1+δSe)is the structurally simplest iron-based superconductor with a superconducting critical temperature(Tc)of 8.5 K at ambient pressure[2].By intercalation of alkali metal ions into
文摘顶部籽晶熔融织构生长法(TSMTG)是制备大尺寸单畴YBCO超导块材最有效的方法之一,然而,TSMTG法却存在着样品易收缩、变形等严重问题.为了解决这一问题,人们发明了顶部籽晶熔渗生长法(TSIG).但传统的TSIG法需要制备Y2Ba Cu O5(Y211),YBa2Cu3Oy(Y123),Ba Cu O2三种粉体,不仅过程复杂、费时费力、耗能污染,且最大的缺陷是无法控制样品中的Y211粒子含量.为了解决这些技术难题,发明了一种新TSIG法,用Y2O3+1.2Ba Cu O2混合粉替代传统的Y211固相源,用Y2O3,Ba Cu O2和Cu O混合粉替代传统的(Y123+3Ba Cu O2+2Cu O)液相源.采用这种新TSIG法,成功地制备出了直径为59和93 mm的单畴YBCO超导块材.通过对采用传统和新TSIG法制备单畴YBCO超导块材的生长速率、磁悬浮力和微观结构的研究发现:(1)采用新TSIG法后,YBCO超导块材的生长速率达到传统方法的1.7倍;(2)采用新TSIG法制备的单畴YBCO超导块材的磁悬浮力比传统方法制备的样品高出65%以上;(3)采用新TSIG法制备单畴YBCO超导块材,样品中的Y211粒子平均粒径约为1μm,明显小于传统TSIG方法所制备样品的3.4μm,而且分布更合理、均匀,有效地提高了样品的磁通钉扎能力.在此基础上,制备出了目前国内最大尺寸(直径93 mm)单畴YBCO超导块材.这些结果表明,新TSIG法对于促进低成本、大尺寸、高质量单畴REBCO超导块材的产业化及其应用进程具有非常重要的指导意义和实用价值.
