Structural defects in L10 FePt by modified analytic embedded-atom method

被引：0
作者：
Shu Xiao-lin [1 ]
Chen Qiang
Chen Zi-yu
Hu Wang-yu
机构：
[1] Beijing Univ Aeronaut & Astronaut, Sch Sci, Beijing 100083, Peoples R China
[2] Hunan Univ, Dept Appl Phys, Changsha 410082, Peoples R China
来源：
TRANSACTIONS OF NONFERROUS METALS SOCIETY OF CHINA | 2006年 / 16卷
关键词：
intermetallics; FePt; point defects; molecular dynamics; embedded-atom method;
D O I：
暂无
中图分类号：
TF [冶金工业];
学科分类号：
0806 ;
摘要：
The structural defects of L1(0) FePt are investigated by the molecular dynamics (MD) with a modified analytic embedded-atom method (MAEAM). The L1(0) ordered structure of FePt is relaxed from a trial fcc structure. The defect formation energies are calculated. The vacancy formation energies of Fe and Pt are 1.89 eV and 2.11 eV respectively. The antisite formation energy of Fe in Pt sublattice is 0.35 eV The antisite formation energy of Pt in Fe sublattice is 0.09 eV. The tendency of the vacancy formation energy is in agreement with other calculation. The point defect structure types are Pt antisite in rich-Pt side and Fe antisite in rich-Fe side.
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页码：S2034 / S2037
页数：4
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