Electronic Structure and Fermi Surface of LaRu2Si2
Electronic Structure and Fermi Surface of LaRu2Si2
复制标题
LaRu2Si2 的电子结构和费米面
DOI：
10.1143/jpsj.61.2388
复制
发表时间：
1992
影响因子：
1.7
通讯作者：
A. Hasegawa
中科院分区：
文献类型：
--
作者：
H. Yamagami;A. Hasegawa
采用自洽相对论对称APW方法，利用局域密度近似下的交换势和相关势，计算了体心四方晶体结构LaRu 2 Si 2 的能带结构和费米面。主费米面是一个非常大的闭孔片，其横截面积超过了布里渊区本身的大小。另外还有小空穴和电子片，它们都没有开放轨道。费米表面拓扑结构与高场横向磁阻实验结果一致。通过这些费米面，大努基等人最近测量了德哈斯-范阿尔芬效应频率分支的幅度和角度依赖性。可以很好地解释。简要讨论了相关重电子化合物CeRu 2 Si 2 和铁磁化合物CeRu 2 Ge 2 的费米面。
The energy band structure and the Fermi surface are calculated for LaRu 2 Si 2 with a body-centered tetragonal crystal structure by a self-consistent relativistic symmetrized APW method with the exchange and correlation potential in the local-density approximation. The main Fermi surface is an extraordinarily large, closed hole sheet with a cross-sectional area exceeding the size of the Brillouin zone itself. There are additionally small hole and electron sheets, all of which have no open orbit. The Fermi surface topology is consistent with the experimental result for the high-field transverse magnetoresistance. By these Fermi surfaces, both the magnitude and the angular dependence of the frequency branches of the de Haas-van Alphen effect measured recently by Ōnuki et al. can be explained reasonably well. The Fermi surfaces of the related heavy-electron compound CeRu 2 Si 2 and ferromagnetic compound CeRu 2 Ge 2 are discussed briefly.