CLUSTER CALCULATION OF BORON IMPURITIES IN CUBIC SIC, SUBSTITUTING FOR SI-SITES AND C-SITES

Authors
PETRENKO TL TESLENKO VV BUGAI AA KHAVRYUTCHENKO VD KLIMOV AA
Citation
Tl. Petrenko et al., CLUSTER CALCULATION OF BORON IMPURITIES IN CUBIC SIC, SUBSTITUTING FOR SI-SITES AND C-SITES, Semiconductor science and technology, 11(9), 1996, pp. 1276-1284
Citations number
36
Categorie Soggetti
Engineering, Eletrical & Electronic","Physics, Condensed Matter","Material Science
Journal title
Semiconductor science and technology → ACNP
ISSN journal
02681242
Volume
11
Issue
9
Year of publication
1996
Pages
1276 - 1284
Database
ISI
SICI code
0268-1242(1996)11:9<1276:CCOBII>2.0.ZU;2-T
Abstract
Comparison calculation of boron impurities, substituting for Si and C sites in cubic SiC, is performed in the framework of the cluster MNDO method. Impurity site preference, equilibrium geometry, potential ener gy surface, reorientation barriers, Franck-Condon shift, spin and char ge density distribution and hyperfine parameters are under considerati on. The reasonable values of all calculated parameters support the mod el of a Jahn-Teller centre with strong coupling for the B-Si impurity. Calculations predict the B-C impurity to be the effective-mass-like a cceptor.