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Temperature dependence of the tetragonal distortion in I–III–VI 2 compounds
Author(s) -
Neumann H.
Publication year - 1983
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/crat.2170180516
Subject(s) - tetragonal crystal system , anharmonicity , distortion (music) , chemistry , thermodynamics , order (exchange) , condensed matter physics , basis (linear algebra) , crystallography , computational chemistry , materials science , physics , crystal structure , mathematics , amplifier , geometry , optoelectronics , cmos , finance , economics
On the basis of free energy considerations with anharmonic contributions included a model is developed for the temperature dependence of the tetragonal distortion Δ of the I–III–VI 2 compounds. Agreement with experimental data can be only achieved if compounds with Δ < 0.05 and Δ > 0.05 are considered separately. It is suggested that this result is related to the structural order‐disorder behaviour of the I–III–VI 2 compounds.
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