Crystal structure and electronic properties of wurtzite MgxZn1-xO: Ab initio study
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چکیده
منابع مشابه
Electronic and optical properties of MgxZn1−xO and CdxZn1−xO from ab initio calculations
Isostructural and heterostructural pseudobinary MgxZn1−xO and CdxZn1−xO alloys are studied by combining the wurtzite and the rocksalt polymorphs within a cluster expansion. The computationally demanding calculation of the quasiparticle electronic structure has been achieved for all cluster cells of the expansion using the recently developed HSE03 +G0W0 scheme. These results are used to compute ...
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ژورنال
عنوان ژورنال: Results in Physics
سال: 2019
ISSN: 2211-3797
DOI: 10.1016/j.rinp.2019.102694