Stability of alkali-metal adsorption on fcc-metal surfaces: Cu(001)-(2x1)-Li and Al(001)-c(2x2)-Na

被引：12
作者：
Ohsaki, I [1 ]
Oguchi, T [1 ]
机构：
[1] Hiroshima Univ, Dept Mat Sci, Higashihiroshima 739, Japan
来源：
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN | 1998年 / 67卷 / 03期
关键词：
substitutional adsorption; vacancy-formation energy; binding energy; FLAPW method;
D O I：
10.1143/JPSJ.67.978
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
The stability of Cu(001)-(2x1)-Li and Al(001)-c(2x2)-Na systems, in which the adatoms (Li or Na) occupy substitutional sites are investigated based on first-principles electronic structure calculations. The total energies of the systems are calculated and compared, by considering some related surface structures and optimizing the structural parameters involved. The stability is discussed in terms of vacancy-formation and binding energies. Change in work function by adsorption is also discussed.
引用
收藏
页码：978 / 982
页数：5
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