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Electric Field Gradients in Wurtzite‐Type Semiconductors
Author(s) -
Dietrich M.,
Kortus J.,
Cordts W.,
Unterricker S.
Publication year - 1998
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/(sici)1521-3951(199805)207:1<13::aid-pssb13>3.0.co;2-k
Subject(s) - wurtzite crystal structure , electric field , semiconductor , materials science , ion , condensed matter physics , displacement (psychology) , binary number , chemistry , physics , optoelectronics , zinc , mathematics , quantum mechanics , psychology , organic chemistry , metallurgy , psychotherapist , arithmetic
Electric field gradients (efg) in binary wurtzite‐type semiconductors have been calculated self‐consistently by application of the program WIEN 95 which is based on the LAPW method. The results were compared with measured efg at the A‐ and B‐sites. All efg are small and they are largely influenced by the parameter u , which describes the displacement of the anion and cation sublattices and which has a low experimental accuracy. From the minimum of the total energy the reliable u parameters can be determined for substances where no experimental values exist. These u parameters show a linear dependence on the axis ratio c / a .