Electronic Structure of Novel Superconductor (Ca1-xSr x)Pd3P
Electronic Structure of Novel Superconductor (Ca1-xSr x)Pd3P
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新型超导体(Ca1-xSr x)Pd3P的电子结构
DOI：
10.1088/1742-6596/1975/1/012004
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发表时间：
2021
期刊：
影响因子：
--
通讯作者：
Kawashima K
中科院分区：
文献类型：
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作者：
Hase I;Yanagisawa T;Iyo A;Fujihisa H;Gotoh Y;Eisaki H;Kawashima K
本文报道了实验中观察到的不同晶体结构（Ca 1-x Sr x） pd3p的第一性原理计算结果。计算得到的电子比热系数与实验值吻合较好。我们发现在费米能级上，中心对称相比非中心对称相具有更高的态密度。在该系统中，非中心对称相位中可能的宇称混合估计很小。
In this paper we report the results of the first-principles calculations for (Ca 1-x Sr x) Pd 3 P for various crystal structures observed in experiment. The calculated electron specific heat coefficient shows a good agreement with the experimental values. We found the centrosymmetric phase has a higher density of state at the Fermi level than that of the non-centrosymmetric phase. Possible parity mixing in the non-centrosymmetric phase is estimated as small in this system.