Pressure effects on iron-based superconductors: A first-principles study

被引：1
|
作者：
Nakamura, Hiroki [1 ]
Machida, Masahiko
机构：
[1] Japan Atom Energy Agcy, Ctr Computat Sci & e Syst, Tokyo 1100015, Japan
来源：
PHYSICA C-SUPERCONDUCTIVITY AND ITS APPLICATIONS | 2010年 / 470卷
关键词：
Iron-based superconductor; LaFeAsO; Pressure effect; First-principles calculation; DFT; AUGMENTED-WAVE METHOD;
D O I：
10.1016/j.physc.2009.12.024
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
We investigate pressure effects on an iron-based superconductor LaFeAsO using first-principles calculations. As the pressure increases, we find a structural transition from the orthorhombic to the tetragonal crystal with disappearance of the antiferromagnetically ordered magnetic moment at 24 GPa in agreement with an experimental observation. Moreover, the calculations reveal that the structural transition is almost of the second order. (C) 2009 Elsevier B.V. All rights reserved.
引用
收藏
页码：S387 / S388
页数：2
相关论文
共 50 条
  • [31] The Magnetoresistance in Iron-based Superconductors
    Lv, B.
    Xie, R. B.
    Liu, S. L.
    Wu, G. J.
    Shao, H. M.
    Wu, X. S.
    JOURNAL OF MAGNETICS, 2011, 16 (02) : 192 - 195
  • [32] Focus on Iron-Based Superconductors
    Hosono, Hideo
    Ren, Zhi-An
    New Journal of Physics, 2009, 11
  • [33] Iron-based superconductors Foreword
    Alloul, Henri
    Cano, Andres
    COMPTES RENDUS PHYSIQUE, 2016, 17 (1-2) : 1 - 4
  • [34] Magnetic structure and phonon spectra of iron-based superconductors: A first-principle study
    Nakamura, Hiroki
    Machida, Masahiko
    Baron, Alfred Q. R.
    Fukuda, Tatsuo
    Shamoto, Shin-ichi
    PHYSICA C-SUPERCONDUCTIVITY AND ITS APPLICATIONS, 2010, 470 : S430 - S432
  • [35] First-principles study of metallic iron interfaces
    Hung, A
    Yarovsky, I
    Muscat, J
    Russo, S
    Snook, I
    Watts, RO
    SURFACE SCIENCE, 2002, 501 (03) : 261 - 269
  • [36] Gypsum under pressure: A first-principles study
    Giacomazzi, Luigi
    Scandolo, Sandro
    PHYSICAL REVIEW B, 2010, 81 (06):
  • [37] First-principles study of the transition metal-doped iron-based superconductor AFe2As2 (A = Ba, Sr)
    Li Li
    Jiajun Wang
    Yao Liang
    Yan Cui
    Hualong Tao
    Shimin Liu
    Bo Song
    Jikang Jian
    Zhihua Zhang
    Ming He
    Journal of Materials Science, 2021, 56 : 16533 - 16544
  • [38] First-principles studies of electrical resistivity of iron under pressure
    Sha, Xianwei
    Cohen, R. E.
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2011, 23 (07)
  • [39] First-principles study of the transition metal-doped iron-based superconductor AFe2As2 (A = Ba, Sr)
    Li, Li
    Wang, Jiajun
    Liang, Yao
    Cui, Yan
    Tao, Hualong
    Liu, Shimin
    Song, Bo
    Jian, Jikang
    Zhang, Zhihua
    He, Ming
    JOURNAL OF MATERIALS SCIENCE, 2021, 56 (29) : 16533 - 16544
  • [40] First-principles study of the minimal model of magnetic interactions in Fe-based superconductors
    Glasbrenner, J. K.
    Velev, J. P.
    Mazin, I. I.
    PHYSICAL REVIEW B, 2014, 89 (06)
12345