Structural phase transition study of FePt alloys using ab initio calculation

被引：8

作者：

Imaizumi, M. ^{[1
]}

Soufen, C. A. ^{[2
]}

Pintao, C. A. F. ^{[1
]}

Varanda, L. C. ^{[3
]}

Jafeficci, M., Jr. ^{[4
]}

机构：

[1] UNESP, FC, Dept Phys, BR-17033360 Bauru, SP, Brazil

[2] UNESP, FE, Dept Mech Engn, BR-17033360 Bauru, SP, Brazil

[3] Univ Sao Paulo, IQSC, Dept Phys, BR-13560970 Sao Carlos, SP, Brazil

[4] UNESP, IQ, Dept Phys, BR-14801970 Araraquara, SP, Brazil

来源：

MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING | 2009年 / 521-22卷

基金：

巴西圣保罗研究基金会;

关键词：

Electronic structure; Cubic structure; Tetragonal structure; Density of states; Elastic constants;

D O I：

10.1016/j.msea.2008.09.111

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

The FePt alloy undergoes the cubic to tetragonal lattice transformation in the ferromagnetic state. We calculated the electronic structure for both cubic and tetragonal structures using the FPLAPW method with APW + lo. Comparing the density of states of the cubic and tetragonal structures, it is expected that the lattice transformation is caused by the band Jahn-Teller effect. (C) 2009 Elsevier B.V. All rights reserved.

引用

页码：167 / 168

页数：2

共 8 条

[1]

Blaha P., 2001, WIEN2K AUGMENTED PLA

[2]

Cebollada A., 2002, Magnetic Nanostructures, P93

[3] ELECTRONIC-STRUCTURE AND LATTICE TRANSFORMATION IN NI2MNGA AND CO2NBSN [J].