Interionic interactions and fast-ion conduction in CaF2
Simulations of the superionic conductor CaF2 have been undertaken, with a model for the interionic interactions derived directly from electronic structure calculations. The model includes such many-body effects as polarization and the adaptation of the size of the anion to its instantaneous environm...
| Main Authors: | , , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
1996
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