Influence of magnetic interaction on lattice dynamics of FeBO3

被引：22
|
作者：
Parlinski, K
Lazewski, J
Jochym, PT
Chumakov, A
Rüffer, R
Kresse, G
机构：
[1] Inst Nucl Phys, PL-31342 Krakow, Poland
[2] European Synchrotron Radiat Facil, F-38043 Grenoble, France
[3] Univ Vienna, Inst Mat Phys, A-1090 Vienna, Austria
来源：
EUROPHYSICS LETTERS | 2001年 / 56卷 / 02期
关键词：
D O I：
10.1209/epl/i2001-00517-6
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
The lattice dynamics of the antiferromagnetic FeBO3 crystal has been calculated by ab initio density-functional theory and measured by nuclear inelastic absorption spectroscopy. The calculations for the antiferromagnetic phase reproduce the experimental lattice parameters of the unit cell and provide phonon dispersion relations which agree well with the measured partial density of phonon states for the Fe atoms. Calculations for the nonmagnetic configuration lead to a smaller crystal volume and drastically higher phonon frequencies for the Fe atoms.
引用
收藏
页码：275 / 281
页数：7
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