Ab initio optical properties of BN in the cubic and in the layered hexagonal phase

Authors
Satta, G Cappellini, G Palummo, M Onida, G
Citation
G. Satta et al., Ab initio optical properties of BN in the cubic and in the layered hexagonal phase, COMP MAT SC, 22(1-2), 2001, pp. 78-80
Citations number
10
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
COMPUTATIONAL MATERIALS SCIENCE
ISSN journal
09270256 → ACNP
Volume
22
Issue
1-2
Year of publication
2001
Pages
78 - 80
Database
ISI
SICI code
0927-0256(200111)22:1-2<78:AIOPOB>2.0.ZU;2-W
Abstract
We present our ab initio calculation of linear optical properties in cubic (c-BN) and layered hexagonal BN (h-BN). Our results show a reasonable agree ment with existent theoretical results and with measured data for the imagi nary part of the dielectric function in the case of h-BN, while for c-BN di screpancies arise between theory and experiment. We discuss the possible re asons of this mismatch. (C) 2001 Elsevier Science B.V. All rights reserved.