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应变ZnO 光学和电学特性的第一性原理计算

DOI: 10.7521/j.issn.0454-5648.2015.04.09

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Abstract:

基于应变张量理论,建立未应变ZnO与不同Mg组分表征的应变ZnO/Zn1–xMgxO超胞模型,进而采用密度泛函理论

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