Valence Bond Cluster Studies of Alkali Metal/Semiconductor Bonding

机译：碱金属/半导体键合的价键团簇研究

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We present results of cluster studies of alkali metal/semiconductor bonding. Using the Generalized Valence Bond (GVE) method, we find a remarkable consistency in the behavior of bonding orbitals for a variety of systems, including: LiH, CLi4, LiH4 and several hypervalent systems, such as SiH3Li2, SiH4Li2. Our results show that the metal-semiconductor bonding in these systems can be understood in terms of a pairing between McAdon-Goddard type metallic bonding orbitals and a set of equivalent orbitals of the non-metallic species. We propose that the results are relevant to the initial stages of alkali overlayer growth on semiconductor surfaces and lead to a simple picture of the bonding including the transition from a non-conducting to a conducting layer. We have considered numerous proposed hypervalent structures in light of the above results and find that they can be understood.

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Tatar, R. C.; Messmer, R. P.;
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年度 1986
页码 p.1-2
总页数 2
原文格式 PDF
正文语种 eng
中图分类工业技术;
关键词
Semiconductors; Alkali metals; Silicon; Hydrogen;

机译：半导体;碱金属;硅;氢;

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Valence Bond Cluster Studies of Alkali Metal/Semiconductor Bonding

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