First principles calculations of the adsorption of group III metals on Si(001) at high temperature

被引：2
|
作者：
Cotzomi-Paleta, J
Cocoletzi, GH
Takeuchi, N
机构：
[1] Univ Autonoma Puebla, Inst Fis, Puebla 72570, Mexico
[2] Univ Nacl Autonoma Mexico, Ctr Ciencas Mat Condensada, Ensenada 22800, Baja California, Mexico
来源：
SURFACE REVIEW AND LETTERS | 2002年 / 9卷 / 5-6期
关键词：
D O I：
10.1142/S0218625X0200413X
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：
First principles total energy calculations are performed to investigate the Si(001)-(3 x 4) reconstruction induced by the adsorption of group III metals (Ga, Al and In) when deposited at high temperatures. We have considered different models in our study and we have found that the pyramid-like structure proposed by Bunk et al. for In on Si(001) yields the most stable atomic configuration in all cases. We present a detailed description of this surface reconstruction, and compare the structural parameters for Al, Ga and In.
引用
收藏
页码：1641 / 1644
页数：4
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