Valence Bond Cluster Studies of Alkali Metal/Semiconductor Bonding

Abstract

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 behavoir 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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Document Details

Document Type
Technical Report
Publication Date
Dec 01, 1986
Accession Number
ADA184276

Entities

People

  • Richard P. Messmer
  • Robert C. Tatar

Organizations

  • University of Pennsylvania

Tags

Communities of Interest

  • Advanced Electronics

DTIC Thesaurus Topics

  • Abstracts
  • Alkali Metals
  • Compound Semiconductors
  • Consistency
  • Contracts
  • Electronics
  • Metals
  • Military Research
  • Pennsylvania
  • Semiconductors
  • Solid State Electronics
  • Transitions
  • United States
  • Universities

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  • Quantum Chemistry
  • Systems Analysis and Design
  • Thin Film Deposition Science.

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  • Microelectronics
  • Space