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

页码：288 / 291

页数：4

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