First-principlesWannier function analysis of the electronic structure of PdTe: weaker magnetism and superconductivity

被引：13
作者：
Ekuma, Chinedu E. [1 ,2 ]
Lin, Chia-Hui [3 ,4 ]
Moreno, Juana [1 ,2 ]
Ku, Wei [3 ,4 ]
Jarrell, Mark [1 ,2 ]
机构：
[1] Louisiana State Univ, Dept Phys & Astron, Baton Rouge, LA 70803 USA
[2] Louisiana State Univ, Ctr Computat & Technol, Baton Rouge, LA 70803 USA
[3] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA
[4] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA
来源：
JOURNAL OF PHYSICS-CONDENSED MATTER | 2013年 / 25卷 / 40期
基金：
美国国家科学基金会;
关键词：
TRANSITION; TELLURIDES;
D O I：
10.1088/0953-8984/25/40/405601
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
We report a first-principles Wannier function study of the electronic structure of PdTe. Its electronic structure is found to be a broad three-dimensional Fermi surface with highly reduced correlation effects. In addition, the higher filling of the Pd d-shell, its stronger covalency resulting from the closer energy of the Pd d and Te p shells, and the larger crystal field effects of the Pd ion due to its near octahedral coordination, all serve to weaken significantly electronic correlations in the particle-hole (spin, charge, and orbital) channel. In comparison to the Fe chalcogenides, e. g. FeSe, we highlight the essential features (quasi-two-dimensionality, proximity to half-filling, weaker covalency, and higher orbital degeneracy) of Fe-based high-temperature superconductors.
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页数：6
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