Surface disordering, roughening and premelting of Ag(110)

被引:29
作者
Rahman, TS [1 ]
Tian, ZJ [1 ]
Black, JE [1 ]
机构
[1] BROCK UNIV,DEPT PHYS,ST CATHARINES,ON L2S 3A1,CANADA
基金
美国国家科学基金会; 加拿大自然科学与工程研究理事会;
关键词
atomistic dynamics; low index single crystal surfaces; molecular dynamics; silver; surface melting; surface roughening;
D O I
10.1016/S0039-6028(96)00909-0
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We have examined the structure and the dynamics of Ag(110) from 300 to 1100 K using reliable, many-body interaction potentials and molecular dynamics simulations. It is seen that the surface in-plane vibrations are larger and more anharmonic than the out-of-plane vibration, and lead to the disordering of the surface through the formation of vacancies and adatoms. The results indicate that the surface begins to disorder around 750 K, it roughens around 930 K and premelts at about 1000 K. Results are compared with existing experimental data.
引用
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页码:9 / 16
页数:8
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