Ionic solids at elevated temperatures and high pressures: MgF2
A combination of periodic Hartree-Fock theory, quasiharmonic lattice dynamics, and molecular dynamics is used to study the behavior of MgF2 at elevated temperatures and/or high pressures. Particular attention is paid to the pressure-induced transition from the rutile to the fluorite structure in vie...
Guardado en:
| Autores principales: | Barrera, G.D., Taylor, M.B., Allan, N.L., Barron, T.H.K., Kantorovich, L.N., Mackrodt, W.C. |
|---|---|
| Formato: | JOUR |
| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_00219606_v107_n11_p4337_Barrera |
| Aporte de: |
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