STRUCTURAL-PROPERTIES OF CUBIC GAN EPITAXIAL LAYERS GROWN ON BETA-SIC

Citation
Lk. Teles et al., STRUCTURAL-PROPERTIES OF CUBIC GAN EPITAXIAL LAYERS GROWN ON BETA-SIC, Journal of applied physics, 80(11), 1996, pp. 6322-6328
Citations number
25
Categorie Soggetti
Physics, Applied
Journal title
ISSN journal
00218979
Volume
80
Issue
11
Year of publication
1996
Pages
6322 - 6328
Database
ISI
SICI code
0021-8979(1996)80:11<6322:SOCGEL>2.0.ZU;2-G
Abstract
Self-consistent Eight-binding total energy calculations are performed to study the deposition of a few layers of cubic GaN on (100) beta-SiC substrates. Cohesion energies, atomic displacements, dangling bond oc cupancies and surface reconstructions are calculated for a variety of epitaxial systems including monolayers of either Ga or N as well as si ngle and double bilayers of GaN on either Si or C terminated substrate s. The SiC substrates and Ga-N epitaxial layers are represented by 2x2 supercells of 9 Si and C monolayers plus the respective number of mon olayers of Ga and N atoms. Depending on the system, surface atoms dime rize either symmetrically or asymmetrically resulting in either 2x1, c -2x2, or 2x2 surface reconstructions. At the substrate-epitaxial-layer interfaces, N binds stronger than Ga to either Si or C. Interface mix ing is found to be energetically not advantageous for both C- and Si-t erminated substrates, although for the latter the obtained small energ y differences may suggest the possibility of mixing. (C) 1996 American Institute of Physics.