Ab initio study of fundamental properties of XAlO3 (X = Cs, Rb and K) compounds
The structural, electronic, magnetic and optical properties of suggestedXAlO3(X¼Cs, Rb and K) pe-rovskites under pressure effects are investigated by means of thefirst-principles calculations with the technique of the Full Potential Linearly Augmented Plane Wave (FP-LAPW) implemented within Wien2k c...
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| 格式: | Article |
| 語言: | English |
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H. : ĐHQGHN
2018
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| 主題: | |
| 在線閱讀: | http://repository.vnu.edu.vn/handle/VNU_123/62875 https://doi.org/10.1016/j.jsamd.2018.03.001 |
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