Valence-Band Ordering in ZnO
نویسندگان
چکیده
منابع مشابه
THEORETICAL STUDIES OF ZnO AND RELATED MgxZn1−xO ALLOY BAND STRUCTURES
First principles calculations are carried out for ZnO, MgO and ZnMgO2 in various crystal structures. The nature of the valence band ordering in ZnO is shown to depend strongly on the Zn3d band position. MgO in wurtzitic form is found to gave an unusual 5-fold coordiated structure. The band gap dependence in the alloy system is found to be in fair agreement with experimental data and the band-of...
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Substitutional cobalt in ZnO has a weak preference for antiferromagnetic ordering. Stabilization of ferromagnetism is achieved through n-type doping, which can be understood through a band coupling model. However, the description of the transition to a ferromagnetic ground state varies within different levels of band theory; issues arise due to the density functional theory underestimation of t...
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تاریخ انتشار 2015