First-principle calculation for the phonon structure on iron-based superconductors

被引：8
作者：
Nakamura, H. [1 ,3 ]
Hayashi, N. [1 ,2 ]
Nakai, N. [1 ,2 ]
Machida, M. [1 ,2 ,3 ]
机构：
[1] Japan Atom Energy Agcy, CCSE, Taito Ku, Tokyo 1100015, Japan
[2] JST, CREST, Kawaguchi, Saitama 3320012, Japan
[3] JST, TRIP, Chiyoda Ku, Tokyo 1020075, Japan
来源：
PHYSICA C-SUPERCONDUCTIVITY AND ITS APPLICATIONS | 2009年 / 469卷 / 15-20期
关键词：
Iron-based superconductor; Phonon; First-principle calculation; TOTAL-ENERGY CALCULATIONS; WAVE;
D O I：
10.1016/j.physc.2009.05.178
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
We perform first-principle phonon calculations for three typical iron-based superconductors, i.e., LaFeAsO,BaFe2As2, and FeSe. Though those crystals have different structures, we find that the optical modes associated with Fe vibration have almost similar characters. Moreover, we examine the pressure effect on phonons in FeSe. By increasing the external pressure, the phonon mode frequency related to Fe vibration effectively rises up and the electronic density of states at Fermi level also increases. These results may correlate to the critical temperature enhancement under high pressure. (C) 2009 Elsevier B.V. All rights reserved.
引用
收藏
页码：1024 / 1026
页数：3
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