Point defects at low-index surfaces of fcc metals: Formation energies of vacancies and adatom-vacancy pairs

被引：9
作者：
Devyatko, YN [1 ]
Rogozhkin, SV [1 ]
Fadeev, AV [1 ]
机构：
[1] Moscow State Engn & Phys Inst, Moscow 115409, Russia
来源：
PHYSICAL REVIEW B | 2001年 / 63卷 / 19期
关键词：
D O I：
10.1103/PhysRevB.63.193401
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
In a variety of casts the vacancy-adatom pair is shown to be the most widely spread defect on low-index surfaces due to its considerable contribution to the entropy of adatom positions. The results of calculations obtained by the modified embedded-atom and the embedded-atom methods show that the formation energy of the vacancy-adatom pair is slightly less than (or equal to) that of the vacancy for the majority of cases considered.
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页数：4
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