Thumbnail
Access Restriction
Open

Author Chawla, S. ♦ Messmer, R. P.
Source United States Department of Energy Office of Scientific and Technical Information
Content type Text
Language English
Subject Keyword PHYSICS ♦ MUONIUM ♦ HYPERFINE STRUCTURE ♦ DIAMONDS ♦ CRYSTAL DEFECTS ♦ HYDROGEN ♦ HYDROGEN ADDITIONS ♦ PERTURBATION THEORY ♦ STRAINS
Abstract The bond-center (BC) hydrogen/muonium defect is of considerable interest both as a model for the theoretical description of defects in semiconductors, and because of its possible role in affecting the opto-electronic properties of polycrystalline silicon and diamond. Its identification requires a reliable calculation of its hyperfine couplings (HFCs) both in the bulk and in strained bonds that occur at grain boundary sites. Using a novel multiconfigurational perturbative approach we have calculated the HFCs of BC muonium/hydrogen in diamond. To our knowledge the method provides the best compromise between accuracy and computational efficiency. Our results for the bulk BC muonium defect are in very good agreement with experiment. As an application of this method, we have obtained the HFCs for hydrogen in strained C-C bonds. {copyright} {ital 1996 American Institute of Physics.}
ISSN 00036951
Educational Use Research
Learning Resource Type Article
Publisher Date 1996-11-01
Publisher Place United States
Journal Applied Physics Letters
Volume Number 69
Issue Number 21


Open content in new tab

   Open content in new tab