Lattice dynamics and thermal properties of CaWO4
Thermodynamic properties of CaWO4 were studied using the GULP code incorporating semiclassical simulations based on quasiharmonic lattice dynamics and static lattice minimisation methods. Free energy minimization along with so called "relax" fitting was used to obtain the parameters charac...
| Main Authors: | , , , |
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| Formato: | Journal article |
| Idioma: | English |
| Publicado: |
2004
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