| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1561003 | Computational Materials Science | 2014 | 5 Pages |
•Rigid-ion model is used to calculate the interatomic interactions up to third nearest neighbour for ZnGa2O4 spinel.•We have calculated zone-centre phonon frequencies for ZnGa2O4 spinel.•We have calculated elastic properties, sound velocities and Debye temperature for zinc gallate spinel.•We have discussed the nature of bonding in the zinc gallate spinel.•We have compared our results with experimentally and previously calculated results available in the literature.
Rigid ion model is used to calculate the vibrational, elastic properties, sound velocities and Debye temperature of zinc gallate spinel ZnGa2O4. We have also calculated the interatomic interactions up to third nearest neighbours. It is found that the first neighbour interaction is stronger than the second neighbour interaction. We have compared our calculated results with the available experimental and previously calculated data. We find an overall good agreement with the experimental and calculated results available in the literature.
