Structural relaxation of vacancies in amorphous silicon

Conference · Tue Jul 01 00:00:00 EDT 1997

OSTI ID:20085531

Kim, E; Lee, Y H; Chen, C; Pang, T

The authors have studied the structural relaxation of vacancies in amorphous silicon (a-Si) using a tight-binding molecular-dynamics method. The most significant difference between vacancies in a-Si and those in crystalline silicon (c-Si) is that the deep gap states do not show up in a-Si. This difference is explained through the unusual behavior of the structural relaxation near the vacancies in a-Si, which enhances the sp{sup 2} + p bonding near the band edges. They have also observed that the vacancies do not migrate below 450 K although some of them can still be annihilated, particularly at high defect density due to large structural relaxation.

• Research Organization: Univ. of Nevada, Las Vegas, NV (US)
• Sponsoring Organization: National Science Foundation (NSF); USDOE; Keck Foundation
• OSTI ID: 20085531
• Resource Relation: Conference: Amorphous and Microcrystalline Silicon Technology - 1997, San Francisco, CA (US), 03/31/1997--04/04/1997; Other Information: PBD: 1997; Related Information: In: Amorphous and microcrystalline silicon technology--1997. Materials Research Society symposium proceedings, Volume 467, by Wagner, S.; Hack, M.; Schiff, E.A.; Schropp, R.; Shimizu, I. [eds.], 999 pages.
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
VACANCIES
SILICON
AMORPHOUS STATE
MOLECULAR DYNAMICS METHOD
RELAXATION