SrAlGe和BaAlGe的电子结构和性质
Electronic Structure and Properties of SrAlGe and BaAlGe
摘要：
本文用第一性原理方法研究了六方蜂窝层超导体BaAlGe和SrAlGe的电子结构。给出了能带、费米面和态密度。这两种材料具有拓扑上不同的费米表面。BaAlGe有两个费米面：一个具有三维陀螺状形状，另一个具有二维特征的圆柱形形状。SrAlGe只有一个相连的费米面。根据BaAlGe的两个费米面性质的不同，提出了BaAlGe的双能隙超导性。SrAlGe的$T_c$比BaAlGe高与费米面的拓扑结构和沿$z$方向的能带色散的差异有关。
英文摘要：
The electronic structures of BaAlGe and SrAlGe which are superconductors with hexagonal honeycomb layers have been studied by using a first principles method. Energy bands, Fermi surafces, and density of states are presented. The two materials have topologically different Fermi surfaces. BaAlGe has two Fermi surfaces: One has a three dimensional spinning-top-like shape and the other has a cylindrical shape with two dimensional character. SrAlGe has only one connected Fermi surface. Two gap superconductivity for BaAlGe is suggested from the inherently different character of the two Fermi surfaces. The higher $T_c$ of SrAlGe than BaAlGe is related to the difference in both the topology of the Fermi surface and the band dispersions along the $z$ direction.
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