Factors affecting the electron-phonon coupling in FeSe under pressure

被引:5
作者
Li, Tingting [1 ,2 ]
Zhang, Xiaoli [1 ,2 ]
Zeng, Zhi [1 ,2 ]
机构
[1] Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, HFIPS, Hefei 230031, Peoples R China
[2] Univ Sci & Technol China, Sci Isl Branch Grad Sch, Hefei 230026, Peoples R China
基金
美国国家科学基金会;
关键词
LATTICE-DYNAMICS; AB-INITIO; SUPERCONDUCTIVITY; CRYSTAL;
D O I
10.1039/d1cp02749b
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Hydrostatic pressure on superconductor FeSe increases the Wyckoff position, z(Se), and decreases lattice constants. However, previously only the increasing of z(Se) was emphasized to be important in determining the electron-phonon coupling. We explicitly study each of the two factors individually to understand its influence on the electron-phonon coupling, band structure and Raman frequencies. We find that the increasing of z(Se) enhances the states around the Fermi level more, while the decreasing of the lattice constants enhances the phonon frequencies more, which together increase the electron-phonon coupling under pressure. Based on the above facts, we predict and prove that the in-plane biaxial strain on FeSe increases the electron-phonon coupling due to the increasing z(Se) value and the decreasing in-plane lattice constant. Our results uncover the factors affecting the increase of the electron-phonon coupling and provide information on how to enhance the electron-phonon coupling in FeSe.
引用
收藏
页码:25107 / 25113
页数:7
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