Modeling the vibrational spectrum of vacancy-containing α-Fe crystals

被引：1
作者：
Kislov, AN [1 ]
Mazurenko, VG [1 ]
机构：
[1] Ural State Tech Univ, Ekaterinburg 620002, Russia
来源：
INORGANIC MATERIALS | 2003年 / 39卷 / 12期
关键词：
D O I：
10.1023/B:INMA.0000008913.19266.2a
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The local atomic structure and vibrational spectrum of vacancy-containing alpha-Fe crystals are calculated using a many-particle interatomic potential. The phonon spectrum is evaluated by a recursion method, and force-constant matrices are calculated using sparse matrix technology.
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页码：1280 / 1283
页数：4
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