Frenkel-Kontorova Model of Vacancy-Line Interactions on Ga/Si(112):   Formalism

S. C. Erwin (1); A. A. Baski (2); L. J. Whitman (1); R. E. Rudd (3); ((1) Naval Research Laboratory; (2) Virginia Commonwealth University; (3); Oxford University)

arXiv:cond-mat/9905150·cond-mat.mtrl-sci·October 31, 2009

Frenkel-Kontorova Model of Vacancy-Line Interactions on Ga/Si(112): Formalism

S. C. Erwin (1), A. A. Baski (2), L. J. Whitman (1), R. E. Rudd (3), ((1) Naval Research Laboratory, (2) Virginia Commonwealth University, (3), Oxford University)

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TL;DR

This paper presents an exactly solvable microscopic model for vacancy-line interactions on Ga/Si(112), revealing complex strain effects and aligning well with experimental data.

Contribution

It introduces a detailed formalism for strain-mediated vacancy interactions, specifically applied to Ga/Si(112), with parameters derived from total-energy calculations.

Findings

01

Good agreement with experimental observations

02

Complex interplay between compressive and tensile strain

03

Model provides detailed microscopic insights

Abstract

We describe in greater detail the exactly solvable microscopic model we have developed for analyzing the strain-mediated interaction of vacancy lines in a pseudomorphic adsorbate system (Phys. Rev. Lett., to appear). The model is applied to Ga/Si(112) by extracting values for the microscopic parameters from total-energy calculations. The results, which are in good agreement with experimental observations, reveal an unexpectedly complex interplay between compressive and tensile strain within the mixed Ga-Si surface layer.

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