論文

2021年6月

Thermodynamic electric quadrupole moments of nematic phases from first-principles calculations

PHYSICAL REVIEW B
  • Taisei Kitamura
  • ,
  • Jun Ishizuka
  • ,
  • Akito Daido
  • ,
  • Youichi Yanase

103
24
記述言語
英語
掲載種別
研究論文(学術雑誌)
DOI
10.1103/PhysRevB.103.245114
出版者・発行元
AMER PHYSICAL SOC

The electronic nematic phase emerging with spontaneous rotation symmetry breaking is a central issue of modern condensed-matter physics. In particular, various nematic phases in iron-based superconductors and high-T-c cuprate superconductors are extensively studied recently. Electric quadrupole moments (EQMs) are one of the order parameters characterizing these nematic phases in a unified way, and elucidating EQMs is a key to understanding these nematic phases. However, the quantum-mechanical formulation of the EQMs in crystals is a nontrivial issue because the position operators are nonperiodic and unbound. Recently, the EQMs have been formulated by local thermodynamics, and such thermodynamic EQMs may be used to characterize the fourfold rotation symmetry breaking in materials. In this paper, we calculate the thermodynamic EQMs in iron-based superconductors LaFeAsO and FeSe as well as a cuprate superconductor La2CuO4 by a first-principles calculation. We show that owing to the orbital degeneracy, the EQMs in iron-based superconductors are mainly determined by the geometric properties of wave functions. This result is in sharp contrast to the cuprate superconductor, in which the EQMs are dominated by distortion of the Fermi surface.

リンク情報
DOI
https://doi.org/10.1103/PhysRevB.103.245114
Web of Science
https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:000661524600001&DestApp=WOS_CPL
ID情報
  • DOI : 10.1103/PhysRevB.103.245114
  • ISSN : 2469-9950
  • eISSN : 2469-9969
  • Web of Science ID : WOS:000661524600001

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