A Local-Density Band Theory for the Fermi Surface of the Heavy-Electron Compound CeRu2Si2
A Local-Density Band Theory for the Fermi Surface of the Heavy-Electron Compound CeRu2Si2
复制标题
重电子化合物CeRu2Si2费米面的局域密度带理论
DOI：
10.1143/jpsj.62.592
复制
发表时间：
1993
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
根据4f电子的巡回电子模型，计算了低温电子比热系数γ为350mJ/K2mol的亚磁性重电子化合物CeRu2Si2的能带结构和费米表面。在局域密度近似下，采用具有交换势和关联势的自洽对称化相对论APW方法。主费米面由一个大的闭合空穴片和一个复杂的电子片组成，就像一个攀登架。费米面的拓扑结构与高场磁阻的实验结果一致。通过与LaRu2Si2电子结构的比较，详细研究了4f带对CeRu2Si2费米面上布洛赫态的影响。在可用的实验De Haas-van Alphen频率中发现了存在电子片的强有力的证据。γ的增强因子估计为38。
On the basis of the itinerant-electron model for the 4f electrons, the energy band structure and the Fermi surface are calculated for the metamagnetic heavy-electron compound CeRu 2 Si 2 having the low-temperature electronic specific heat coefficient γ of 350 mJ/K 2 mol. by a self-consistent symmetrized relativistic APW method with the exchange and correlation potential in a local-density approximation. The main Fermi surface consists of a large closed hole sheet and a complicated electron sheet like a jungle gym. The Fermi surface topology is consistent with the experimental result for the high-field magneto-resistance. By comparison with the electronic structure of LaRu 2 Si 2 , effects of the 4f bands on the Bloch states on the Fermi surface in CeRu 2 Si 2 are investigated in detail. Strong evidences for existence of the electron sheet are found in available experimental de Haas-van Alphen frequencies. The enhancement factor for γ is estimated as 38.