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An Extended Polarizable Point Ion Model for Schottky Defects
Author(s) -
Banhatti R. D.,
Murti Y. V. G. S.
Publication year - 1991
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.2221660103
Subject(s) - ion , polarizability , quadrupole , vacancy defect , crystallographic defect , schottky defect , ionic bonding , range (aeronautics) , schottky diode , atomic physics , materials science , chemistry , molecular physics , condensed matter physics , physics , optoelectronics , organic chemistry , diode , molecule , composite material
The polarizable point ion model for Schottky defects is extended to include the effects of induced quadrupoles in region 1. Schottky defects in AgCl are studied using this model. It is found that it is important to include induced quadrupole moments in any theoretical treatment of charged point defects in ionic crystals. Quadrupolar deformations make sizable contribution to the defect energy which ranged from −0.2 to −0.4 eV in the case of the cation vacancy over the range of anion quadrupole polarizabilities studied. The work further points to the relative significance of chlorine ions in respect of the quadrupole distortions.