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- W2348569897 abstract "The lattice structure,electronic sructure and electrical properies of the Mg doped ZnO have been systematically investigated by the ultro-soft pseudo-potentials based on the density functional theory calculations under the generallized gradient approximation.The calculational and analyzing results show the shrinked lattice and the increased direct band gap of 1.2eV of the Mg doped ZnO system.There are newly formed bands near the-40 eV.The bands near Fermi level are composed by the Mg p,Zn p,Zn d,O p,Mg s,Zn s,Os electrons and strong hybridizations between them are found.The carriers of the bands formed by Zn p,Zn d,O pelectrons hop to the bands formed by the s,and then the electrical conduction is accomplished.The carrier effective mass,density of states as well as the carrier concentration near Fermi level are increased for the Mg doped system.The electrical conductivity should be enhanced by Mg doping for ZnO." @default.
- W2348569897 created "2016-06-24" @default.
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- W2348569897 date "2015-01-01" @default.
- W2348569897 modified "2023-09-25" @default.
- W2348569897 title "Electronic Structure and Electrical Properties of Mg-Substituted ZnO Oxide" @default.
- W2348569897 hasPublicationYear "2015" @default.
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