ATOMISTIC COMPUTER-SIMULATIONS OF YTTRIUM-IRON-GARNET (YIG) AS AN APPROACH TO MATERIALS DEFECT CHEMISTRY .1. INTRINSIC DEFECTS

Authors
DONNERBERG H CATLOW CRA
Citation
H. Donnerberg et Cra. Catlow, ATOMISTIC COMPUTER-SIMULATIONS OF YTTRIUM-IRON-GARNET (YIG) AS AN APPROACH TO MATERIALS DEFECT CHEMISTRY .1. INTRINSIC DEFECTS, Journal of physics. Condensed matter, 5(18), 1993, pp. 2947-2960
Citations number
38
Categorie Soggetti
Physics, Condensed Matter
Journal title
Journal of physics. Condensed matter → ACNP
ISSN journal
09538984
Volume
5
Issue
18
Year of publication
1993
Pages
2947 - 2960
Database
ISI
SICI code
0953-8984(1993)5:18<2947:ACOY(A>2.0.ZU;2-9
Abstract
In this paper we report results of atomistic simulation studies of the formation of intrinsic defect structures in YIG. Using calculated def ect formation energies we obtain energies for defect reactions, from w hich we determine the most favourable defect processes in yttrium iron garnet. Finally, we comment on some electronic properties of YIG crys tals.