Cation composition effects on oxide conductivity in the Zr(2)Y(2)O(7)-Y(3)NbO(7) system.
Polarizable interaction potentials, parametrized using ab initio electronic structure calculations, have been used in molecular dynamics simulations to study the effect of cation composition on the ionic conductivity in the Zr(2)Y(2)O(7)-Y(3)NbO(7) system and to link the dynamical properties to the...
| Main Authors: | , , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
2009
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