DX centers in CdTe: a density functional study

Journal Article · Tue Jan 01 04:00:00 EST 2008 · Applied Physics Letters

DOI:https://doi.org/10.1063/1.2920203· OSTI ID:968251

Du, Mao-Hua ^[1]

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1. ORNL

DX centers induced by both group-III and group-VII donors in CdTe are studied using density functional calculations. The results show that, for group-VII donors, the DX centers with a cation-cation bond ({alpha}- and {beta}-CCB-DX centers) are more stable than the previously proposed broken-bond DX (BB-DX) center and the {beta}-CCB-DX center is the most stable. The stability trend found for the CCB-DX centers for different donors in CdTe is consistent with that for GaAs and GaSb, which suggests a general rule that the CCB-DX centers are favored for small donor atoms on anion site especially for semiconductors with large anion size.

• Research Organization: Oak Ridge National Laboratory (ORNL)
• Sponsoring Organization: NNSA USDOE - National Nuclear Security Administration (NNSA)
• DOE Contract Number: AC05-00OR22725
• OSTI ID: 968251
• Journal Information: Applied Physics Letters, Journal Name: Applied Physics Letters Journal Issue: 18 Vol. 92; ISSN APPLAB; ISSN 0003-6951
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
CADMIUM TELLURIDES
CHEMICAL BONDS
DENSITY FUNCTIONAL METHOD
SEMICONDUCTOR MATERIALS
STABILITY