Correlation-enhanced electron-phonon coupling for accurate evaluation of the superconducting transition temperature in bulk FeSe

被引:10
作者
Ding, Wenjun
Wang, Yilin
Wei, Tong
Gao, Jiaqing
Cui, Ping [1 ]
Zhang, Zhenyu [1 ]
机构
[1] Univ Sci & Technol China, Int Ctr Quantum Design Funct Mat ICQD, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Peoples R China
来源
SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY | 2022年 / 65卷 / 06期
基金
中国国家自然科学基金; 国家重点研发计划; 中国博士后科学基金;
关键词
bulk FeSe; superconductivity; correlation-enhanced electron-phonon coupling; density functional theory; dynamical mean-field theory; MEAN-FIELD THEORY; LAYERED SUPERCONDUCTOR; LATTICE-VIBRATIONS; PHOTOEMISSION; DYNAMICS;
D O I
10.1007/s11433-022-1888-2
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
It has been widely recognized that, based on standard density functional theory calculations of the electron-phonon coupling, the superconducting transition temperature (T-c) in bulk FeSe is exceptionally low (almost 0 K) within the Bardeen-Cooper-Schrieffer formalism. Yet the experimentally observed T-c is much higher (similar to 10 K), and the underlying physical origin remains to be fully explored, especially at the quantitative level. Here we present the first accurate determination of T-c in FeSe where the correlation-enhanced electron-phonon coupling is treated within first-principles dynamical mean-field theory. Our studies treat both the multiple electronic bands across the Fermi level and phononic bands, and reveal that all the optical phonon modes are effectively coupled with the conduction electrons, including the important contributions of a single breathing mode as established by previous experiments. Accordingly, each of those phonon modes contributes pronouncedly to the electron pairing, and the resultant T-c is drastically enhanced to the experimentally observed range. The approach developed here should be broadly applicable to other superconducting systems where correlation-enhanced electron-phonon coupling plays an important role.
引用
收藏
页数:6
相关论文
共 58 条
[1]   Theoretical evidence for strong correlations and incoherent metallic state in FeSe [J].
Aichhorn, Markus ;
Biermann, Silke ;
Miyake, Takashi ;
Georges, Antoine ;
Imada, Masatoshi .
PHYSICAL REVIEW B, 2010, 82 (06)
[2]   TRANSITION-TEMPERATURE OF STRONG-COUPLED SUPERCONDUCTORS REANALYZED [J].
ALLEN, PB ;
DYNES, RC .
PHYSICAL REVIEW B, 1975, 12 (03) :905-922
[3]   Plane-wave based electronic structure calculations for correlated materials using dynamical mean-field theory and projected local orbitals [J].
Amadon, B. ;
Lechermann, F. ;
Georges, A. ;
Jollet, F. ;
Wehling, T. O. ;
Lichtenstein, A. I. .
PHYSICAL REVIEW B, 2008, 77 (20)
[4]   Hund-Enhanced Electronic Compressibility in FeSe and its Correlation with Tc [J].
Arribi, Pablo Villar ;
de' Medici, Luca .
PHYSICAL REVIEW LETTERS, 2018, 121 (19)
[5]   THEORY OF SUPERCONDUCTIVITY [J].
BARDEEN, J ;
COOPER, LN ;
SCHRIEFFER, JR .
PHYSICAL REVIEW, 1957, 108 (05) :1175-1204
[6]   DEFORMATION POTENTIALS AND MOBILITIES IN NON-POLAR CRYSTALS [J].
BARDEEN, J ;
SHOCKLEY, W .
PHYSICAL REVIEW, 1950, 80 (01) :72-80
[7]   POSSIBLE HIGH-TC SUPERCONDUCTIVITY IN THE BA-LA-CU-O SYSTEM [J].
BEDNORZ, JG ;
MULLER, KA .
ZEITSCHRIFT FUR PHYSIK B-CONDENSED MATTER, 1986, 64 (02) :189-193
[8]   Superconductivity at 43 K in SmFeAsO1-xFx [J].
Chen, X. H. ;
Wu, T. ;
Wu, G. ;
Liu, R. H. ;
Chen, H. ;
Fang, D. F. .
NATURE, 2008, 453 (7196) :761-762
[9]   Large electron-phonon interactions from FeSe phonons in a monolayer [J].
Coh, Sinisa ;
Cohen, Marvin L. ;
Louie, Steven G. .
NEW JOURNAL OF PHYSICS, 2015, 17
[10]   The Key Ingredients of the Electronic Structure of FeSe [J].
Coldea, Amalia I. ;
Watson, Matthew D. .
ANNUAL REVIEW OF CONDENSED MATTER PHYSICS, VOL 9, 2018, 9 :125-146