skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Identification of the hexavacancy in silicon with the B{sub 80}{sup 4} optical center

Abstract

The ring hexavacancy (V{sub 6}) has been found by previous theoretical modeling to be a particularly stable defect, but it has not been identified with any observed center to date. Here, we use ab initio calculations to derive the structure and properties of two forms of V{sub 6}H{sub 2} and identify these defects with the trigonal optical centers B{sub 41} and B{sub 71}{sup 1}, which are known to contain two hydrogen atoms in equivalent and inequivalent sites, respectively. It follows from the calculations that V{sub 6} should also be optically active and we identify it with the B{sub 80}{sup 4} (J line) center. This allows us to place the acceptor level of V{sub 6} at E{sub c}-0.04 eV. (c) 2000 The American Physical Society.

Authors:
 [1];  [1];  [2];  [3];  [4];  [5]
  1. School of Physics, The University of Exeter, Exeter EX4 4QL, (United Kingdom)
  2. Department of Physics, University of Durham, South Road, Durham DH1 3LE, (United Kingdom)
  3. Department of Mathematics, University of Luleaa, Luleaa S-97187, (Sweden)
  4. Department of Physics, The University of Newcastle upon Tyne, Newcastle upon Tyne NE1 7RU, (United Kingdom)
  5. Department of Physics, Texas Tech University, Lubbock, Texas 79409-1051 (United States)
Publication Date:
OSTI Identifier:
20216422
Resource Type:
Journal Article
Journal Name:
Physical Review. B, Condensed Matter and Materials Physics
Additional Journal Information:
Journal Volume: 61; Journal Issue: 19; Other Information: PBD: 15 May 2000; Journal ID: ISSN 1098-0121
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; SILICON; VACANCIES; CRYSTAL DEFECTS; HYDROGEN; MICROSTRUCTURE; THEORETICAL DATA

Citation Formats

Hourahine, B., Jones, R., Safonov, A. N., Oeberg, S., Briddon, P. R., and Estreicher, S. K. Identification of the hexavacancy in silicon with the B{sub 80}{sup 4} optical center. United States: N. p., 2000. Web. doi:10.1103/PhysRevB.61.12594.
Hourahine, B., Jones, R., Safonov, A. N., Oeberg, S., Briddon, P. R., & Estreicher, S. K. Identification of the hexavacancy in silicon with the B{sub 80}{sup 4} optical center. United States. doi:10.1103/PhysRevB.61.12594.
Hourahine, B., Jones, R., Safonov, A. N., Oeberg, S., Briddon, P. R., and Estreicher, S. K. Mon . "Identification of the hexavacancy in silicon with the B{sub 80}{sup 4} optical center". United States. doi:10.1103/PhysRevB.61.12594.
@article{osti_20216422,
title = {Identification of the hexavacancy in silicon with the B{sub 80}{sup 4} optical center},
author = {Hourahine, B. and Jones, R. and Safonov, A. N. and Oeberg, S. and Briddon, P. R. and Estreicher, S. K.},
abstractNote = {The ring hexavacancy (V{sub 6}) has been found by previous theoretical modeling to be a particularly stable defect, but it has not been identified with any observed center to date. Here, we use ab initio calculations to derive the structure and properties of two forms of V{sub 6}H{sub 2} and identify these defects with the trigonal optical centers B{sub 41} and B{sub 71}{sup 1}, which are known to contain two hydrogen atoms in equivalent and inequivalent sites, respectively. It follows from the calculations that V{sub 6} should also be optically active and we identify it with the B{sub 80}{sup 4} (J line) center. This allows us to place the acceptor level of V{sub 6} at E{sub c}-0.04 eV. (c) 2000 The American Physical Society.},
doi = {10.1103/PhysRevB.61.12594},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
issn = {1098-0121},
number = 19,
volume = 61,
place = {United States},
year = {2000},
month = {5}
}