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We have investigated the statistical effects of spontaneous ordering on the electronic and structural properties of a semiconductor alloy as a function of order parameter using an empirical pseudopotential method in conjunction with a valence force field method in a supercell approach. The theoretical modeling yields valuable information on the statistical fluctuation of electronic properties, which includes the individual band edge as well as the band gap, for understanding the effects of ordering on various optical and transport measurements. The results on the average bond lengths and the statistical distributions of different types of bonds provide a guideline for the measurability of the effects of ordering in a partially ordered alloy in terms of the order parameter.
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| Authors: |
Zhang, Yong;
Mascarenhas, Angelo;
Wang, Lin-Wang
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| Publication Date: | 2001 Sep 15 |
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| OSTI Identifier: | 40277622 |
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| DOE Contract Number: | AC03-76SF00098; AC36-99GO10337 |
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| Resource Type: | Journal Article |
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| Resource Relation: | Journal Name: Physical Review B; Journal Volume: 64; Journal Issue: 12; Other Information: DOI: 10.1103/PhysRevB.64.125207; Othernumber: PRBMDO000064000012125207000001; 064136PRB; PBD: 15 Sep 2001 |
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| Research Org: | Lawrence Berkeley National Laboratory |
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| Sponsoring Org: | (US) |
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| Country of Publication: | United States |
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| Language: | English |
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| Format: | Size: page(s) 125207-125207-5 |
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| Other Number(s): | Journal ID: ISSN 0163-1829; TRN: US0110158 |
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| Subject: | 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; ALLOYS; BOND LENGTHS; FLUCTUATIONS; ORDER PARAMETERS; RECOMMENDATIONS; TRANSPORT; VALENCE |
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| Publisher: | The American Physical Society |
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| Update Date: | 2009 Dec 17 |
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