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
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