Ab-Initio Calculation of Migration Energies of Adatoms on the Si (100) Surface

被引：0
|
作者：
Brocks, G. [1 ]
Kelly, P. J. [1 ]
Car, R. [2 ]
机构：
[1] Philips Res Labs, NL-5600 JA Eindhoven, Netherlands
[2] Int Sch Adv Studies, Trieste, Italy
来源：
INTERNATIONAL JOURNAL OF MODERN PHYSICS C | 1991年 / 2卷 / 01期
关键词：
D O I：
10.1142/S0129183191000342
中图分类号：
TP39 [计算机的应用];
学科分类号：
081203 ; 0835 ;
摘要：
The binding sites for adsorption of a single Si atom on the reconstructed Si (100) surface are identified using first-principles total energy calculations. By mapping out the total energy as a function of the position of the adatom on the surface, we establish several saddle points for migration over the surface. Similar calculations for P and Al adatoms establish the most important chemical trend.
引用
收藏
页码：288 / 291
页数：4
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