“Majority Representation” of Alloy Electronic States

L.-W. Wang, L. Bellaiche, S.-H. Wei, and A. Zunger
Phys. Rev. Lett. 80, 4725 – Published 25 May 1998
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Abstract

Despite the lack of translational symmetry in random substitutional alloys, their description in terms of single Bloch states has been used in most phenomenological models and spectroscopic practices. We present a new way of analyzing the alloy electronic structures based on a “majority representation” phenomenon of the reciprocal space spectrum Pk of the wave function. This analysis provides a quantitative answer to the questions: When can an alloy state be classified according to the crystal Bloch state symmetry, and under what circumstances are the conventional theoretical alloy models applicable.

  • Received 9 October 1997

DOI:https://doi.org/10.1103/PhysRevLett.80.4725

©1998 American Physical Society

Authors & Affiliations

L.-W. Wang, L. Bellaiche, S.-H. Wei, and A. Zunger

  • National Renewable Energy Laboratory, Golden, Colorado 80401

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Vol. 80, Iss. 21 — 25 May 1998

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