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The influence of structural defects on the electronic properties of amorphous Ta 2 O 5
Author(s) -
Khanin S. D.,
Ivanovskii A. L.
Publication year - 1992
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221740214
Subject(s) - amorphous solid , materials science , impurity , electronic structure , dielectric , crystallography , chemical physics , condensed matter physics , computational chemistry , chemistry , physics , optoelectronics , organic chemistry
The non‐empirical self‐consistent method of discrete variation is employed to calculate the electronic structure of clusters simulating amorphous Ta 2 O 5 , which contains anionic vacancies, hydrogen impurities, and substitutional defects (in anionic (N and F) and cationic (Mo and W) sublattices). The influence of these defects on the electronic structure, as well as interatomic bonds, charge distributions, and dielectric properties of amorphous Ta 2 O 5 is discussed.