Identity of the conduction-band minimum in (AlAs) sub 1 /(GaAs) sub 1 (001) superlattices: Intermixing-induced reversal of states
- National Renewable Energy Laboratory, 1617 Cole Boulevard, Golden, Colorado 80401 (United States)
First-principles pseudopotential calculations on the (001) (AlAs){sub 1}/(GaAs){sub 1} superlattice (SL) shows that {ital partial} intermixing of the Al and Ga atoms relative to the abrupt case lowers its formation energy, making this SL even stabler at low {ital T} than the fully randomized Al{sub 0.5}Ga{sub 0.5}As alloy. Concomitantly, the conduction-band minimum (CBM) reverts from the GaAs {ital L}-derived state, to the {ital X}{sup {ital x}{ital y}}-derived AlAs state. The previously noted discrepancy between theory (pertinent to abrupt SL's and yielding an {ital L}-derived CBM) and experiment (yielding an {ital X}{sup {ital x}{ital y}}-derived CBM) is therefore attributed to insufficient interfacial abruptness in the samples used to date in experimental studies.
- DOE Contract Number:
- AC02-83CH10093
- OSTI ID:
- 7030575
- Journal Information:
- Physical Review, B: Condensed Matter; (United States), Journal Name: Physical Review, B: Condensed Matter; (United States) Vol. 45:19; ISSN PRBMD; ISSN 0163-1829
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
360602* -- Other Materials-- Structure & Phase Studies
ALUMINIUM ARSENIDES
ALUMINIUM COMPOUNDS
ARSENIC COMPOUNDS
ARSENIDES
BAND THEORY
ELECTRONIC STRUCTURE
ENERGY
FORMATION FREE ENERGY
FREE ENERGY
GALLIUM ARSENIDES
GALLIUM COMPOUNDS
PHYSICAL PROPERTIES
PNICTIDES
SUPERLATTICES
THERMODYNAMIC PROPERTIES