Conduction and disorder in Y(3)NbO(7) - Zr(2)Y(2)O(7)
The construction of interaction potentials for the Y 0.5+0.25xNb0.25xZr0.5-0.5xO1.75 system, on a purely ab-initio basis, is described. These potentials accurately reproduce experimental data on both the structure and the dynamics of these systems; the computer simulations also reproduce the experim...
| Main Authors: | , , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
2009
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