First principles materials design of novel functional oxides
We review our efforts to develop and implement robust computational approaches for exploring phase stability to facilitate the prediction-to-synthesis process of novel functional oxides. These efforts focus on a synergy between (i) electronic structure calculations for properties predictions, (ii) p...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
World Scientific Publishing
2016-06-01
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| Series: | Journal of Advanced Dielectrics |
| Subjects: | |
| Online Access: | http://www.worldscientific.com/doi/pdf/10.1142/S2010135X16500119 |