Prediction study of structural, electronic and optical properties of XIn2S4 (X = Hg, Zn) thiospinels under pressure effect
First principle calculations are carried out to study the effect of pressure (up to 30 GPa) on physical properties of HgIn2S4 and ZnIn2S4 thiospinels. A number of structural, electronic and optical parameters are calculated, and equations are developed for their prediction at different pressures. Hi...
| Main Authors: | , , , , , |
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| Format: | Article |
| Published: |
2014
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| Subjects: |