First-principle study on electronic and structural properties of newly discovered superconductors: CaIrSi_3 and CaPtSi_3

J. Kaczkowski; A. Jezierski

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First-principle study on electronic and structural properties of newly discovered superconductors: CaIrSi_3 and CaPtSi_3

机译：新发现的超导体CaIrSi_3和CaPtSi_3的电子和结构特性的第一性原理研究

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摘要

Electronic and structural properties of newly discovered superconductors CaIrSi_3 and CaPtSi_3 were investigated using ab initio band structure methods. The crystallographic data for CaPtSi_3 were computed on the basis of a structural optimization method. The calculated electronic structure revealed similarities to that of the other noncentrosymmetric superconductor BaPtSi_3.

机译：使用从头算带结构方法研究了新发现的超导体CaIrSi_3和CaPtSi_3的电子和结构性质。 CaPtSi_3的晶体学数据是根据结构优化方法计算得出的。计算出的电子结构显示出与其他非中心对称超导体BaPtSi_3的相似性。

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《Journal of Alloys and Compounds: An Interdisciplinary Journal of Materials Science and Solid-state Chemistry and Physics》 |2011年第21期|共4页
作者
J. Kaczkowski; A. Jezierski;
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正文语种 eng
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CaIrSi_3 and CaPtSi_3; Transition metal silicides; Superconductors; Density functional theory (DFT); Electronic structure;

机译：CaIrSi_3和CaPtSi_3;过渡金属硅化物;超导体;密度泛函理论（DFT）;电子结构;

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1. First-principle study on electronic and structural properties of newly discovered superconductors: CaIrSi_3 and CaPtSi_3 [J] . J. Kaczkowski, A. Jezierski Journal of Alloys and Compounds: An Interdisciplinary Journal of Materials Science and Solid-state Chemistry and Physics . 2011,第21期

机译：新发现的超导体CaIrSi_3和CaPtSi_3的电子和结构特性的第一性原理研究
2. Structural, electronic properties and Fermi surface of the newnon-centrosymmetric superconductors: 3.6 К CaIrSi_3 and 2.3 КCaPtSi_3 [J] . V. V. Bannikov, I. R. Shein, A. L. Ivanovskii Письма в Журнал экспериментальной и теоретической физики . 2010,第5a6期

机译：新型非中心对称超导体的结构，电子性能和费米表面：3.6КCaIrSi_3和2.3КCaPtSi_3
3. Structural, Elastic, and Electronic Properties of Newly Discovered Li2PtSi3 Superconductor: Effect of Transition Metals [J] . Alam M. A., Hadi M. A., Nasir M. T., Journal of Superconductivity and Novel Magnetism . 2016,第10期

机译：新发现的Li2PtSi3超导体的结构，弹性和电子性质：过渡金属的影响
4. Electronic structural, lattice dynamics and superconducting properties of tife intermetallic compound: A first-principles study [C] . Harsha Pawar, Mani Shugani, Mahendra Aynyas, DAE Solid State Physics Symposium . 2019

机译：Tife金属间化合物的电子结构，晶格动力学和超导特性：一项研究
5. A first-principles study of structural, electronic and optical properties of GaN, ZnO and (GaN)1--x(ZnO) x. [D] . Liu, Jian. 2015

机译：GaN，ZnO和（GaN）1-x（ZnO）x的结构，电子和光学性质的第一性原理研究。
6. First-Principles Study on Structural Mechanical Anisotropic Electronic and Thermal Properties of III-Phosphides: XP (X = Al Ga or In) in the P6422 Phase [O] . Junjie Miao, Changchun Chai, Wei Zhang, 2020

机译：P6422相中的XP（X = AlGa或In）III型磷化物的结构机械各向异性电子和热性质的第一性原理研究
7. Structural, elastic, and electronic properties of newly discovered Li2PtSi3 superconductor: Effect of transition metals [O] . Alam, M.A., Hadi, M.A., Nasir, M.T., 2016

机译：新发现的Li2PtSi3超导体的结构，弹性和电子性质：过渡金属的影响

First-principle study on electronic and structural properties of newly discovered superconductors: CaIrSi_3 and CaPtSi_3

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