First-principles study of the surface energy and work function of III-V semiconductor compounds

被引：100
作者：
Liu, W.
Zheng, W. T.
Jiang, Q. [1 ]
机构：
[1] Jilin Univ, Key Lab Automobile Mat, Minist Educ, Changchun 130021, Peoples R China
[2] Jilin Univ, Dept Mat Sci & Engn, Changchun 130022, Peoples R China
来源：
PHYSICAL REVIEW B | 2007年 / 75卷 / 23期
关键词：
D O I：
10.1103/PhysRevB.75.235322
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
Surface energy and work function of 12 III-V semiconductors, AlP, AlAs, AlSb, AlBi, GaP, GaAs, GaSb, GaBi, InP, InAs, InSb, and InBi, on (110) surfaces are calculated using ab initio density functional theory. The obtained values are proportional to the corresponding cohesive energy and are in good agreement with available experimental data and theoretical models. The linear relationship among cohesive energy, surface energy, and work function is interpreted by analyzing their electronic properties where four (110) surfaces of Al series semiconductors, AlP, AlAs, AlSb, and AlBi, are taken as examples.
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页数：8
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