DX Centers in GaAs and GaSb

Journal Article · Sat Jan 01 04:00:00 EST 2005 · Physical Review. B, Condensed Matter and Materials Physics

DOI:https://doi.org/10.1103/PhysRevB.72.075210· OSTI ID:978480

Du, M H; B, Zhang S

We propose a DX center, {beta}-cation-cation-bonded (CCB)-DX, in III-V semiconductors based on first-principles calculations. Detailed structural and energetic analyses show that the relative stability of the {beta}-CCB-DX center with respect to two other previously proposed ones strongly depends on the size of the dopant atom. We find that the {beta}-CCB-DX center is most stable when a small group-VI atom replaces the host anion in III-V semiconductors. With the discovery of this DX center, several DX-related phenomena can be explained consistently.

• Research Organization: National Renewable Energy Laboratory (NREL), Golden, CO.
• Sponsoring Organization: USDOE
• DOE Contract Number: AC36-08GO28308
• OSTI ID: 978480
• Journal Information: Physical Review. B, Condensed Matter and Materials Physics, Journal Name: Physical Review. B, Condensed Matter and Materials Physics Journal Issue: 7, 2005 Vol. 72
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
ANIONS
ATOMS
Basic Sciences
STABILITY