• Rapid Communication

Electronic structure of random Al0.5Ga0.5As alloys: Test of the ‘‘special-quasirandom-structures’’ description

K. C. Hass, L. C. Davis, and Alex Zunger
Phys. Rev. B 42, 3757(R) – Published 15 August 1990
PDFExport Citation

Abstract

The spectral properties of an sp3s* tight-binding Hamiltonian for a random, unrelaxed Al0.5Ga0.5As alloy are calculated using three different techniques: the coherent-potential approximation, the recursion method (as applied to a >2000 atom supercell), and the recently introduced ‘‘special-quasirandom-structures’’ (SQS) approach. Over a broad range of scattering strengths, the dominant spectral features predicted by the first two techniques are well reproduced by calculations for an SQS with 16 atoms/unit-cell (‘‘SQS-8’’). This suggests that the SQS approach might also be useful in cases where the other methods are difficult to apply, e.g., in first-principles calculations for structurally relaxed alloys.

  • Received 21 May 1990

DOI:https://doi.org/10.1103/PhysRevB.42.3757

©1990 American Physical Society

Authors & Affiliations

K. C. Hass and L. C. Davis

  • Research Staff, Ford Motor Company, Dearborn, Michigan 48121-2053

Alex Zunger

  • Solar Energy Research Institute, Golden, Colorado 80401

References (Subscription Required)

Click to Expand
Issue

Vol. 42, Iss. 6 — 15 August 1990

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review B

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×