Density functional theory for superconductors with particle-hole asymmetric electronic structure
Density functional theory for superconductors with particle-hole asymmetric electronic structure
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DOI：
10.1103/physrevb.88.014514
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发表时间：
2013-05
影响因子：
3.7
通讯作者：
R. Akashi;R. Arita
中科院分区：
文献类型：
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作者：
R. Akashi;R. Arita
为了将超导体密度泛函理论（SCDFT）的适用性扩展到具有显著粒子-空穴不对称性的系统，我们构造了一个新的进入差距方程的交换关联核.我们表明，内核是数值稳定的，即使在低温极限也不会发散。用解析和数值方法求解了该核模型系统的差距方程，发现电子态密度的非对称分量系统地降低了转变温度（Tc），而这一非对称分量在以前的核中没有考虑.我们提出了一种情况下，Tc的下降量的百分之几十。
To extend the applicability of density functional theory for superconductors (SCDFT) to systems with significant particle-hole asymmetry, we construct a new exchange-correlation kernel entering the gap equation. We show that the kernel is numerically stable and does not diverge even in the low temperature limit. Solving the gap equation for model systems with the present kernel analytically and numerically, we find that the asymmetric component of electronic density of states, which has not been considered with the previous kernel, systematically decreases transition temperature (Tc). We present a case where the decrease of Tc amounts to several tens of percent.