液晶
物理
基态
凝聚态物理
国家(计算机科学)
库仑
费米液体理论
联轴节(管道)
超导电性
拓扑(电路)
量子力学
材料科学
算法
组合数学
电子
计算机科学
数学
冶金
作者
Takemi Yamada,Takami Tohyama
出处
期刊:Physical review
日期:2021-10-12
卷期号:104 (16)
被引量:4
标识
DOI:10.1103/physrevb.104.l161110
摘要
Clarifying the origin of nematic state in FeSe is one of urgent problems in the field of iron-based superconductivity. Motivated by the discovery of a nematic solution in the density-functional theory implemented by on-site Coulomb interaction (DFT+$U$) [npj Quantum Mater. \textbf{5}, 50 (2020)], we reexamine the $U$ dependence of electronic states in the nonmagnetic normal state of FeSe and perform full multipolar analyses for the nematic state. We find that with increasing $U$ the normal state experiences a topological change in the Fermi surfaces before the emergence of a nematic ground state. The resulting nematic ground state is a multipolar state having both antiferrohexadecapoles in the $E$ representation and ferromultipoles in the $B_2$ representation on each Fe site. Cooperative coupling between the $E$ and the $B_2$ multipoles in the local coordinate with the $D_{2d}$ point group will play an important role in the formation of the $d_{xz},~d_{yz}$ orbital-splitting nematic state not only in FeSe, but also in other iron pnictides.
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