Read full paper at: http://www.scirp.org/journal/PaperInformation.aspx?PaperID=50242#.VDNHPFfHRK0 Author(s) Sinem Erden Gulebaglan 1* , Emel Kilit Dogan 2 , Murat Aycibin 2 , Mehmet Nurullah Secuk 2 , Bahattin Erdinc 2 , Harun Akkus 2 Affiliation(s) 1 Department of Electric Program, Vacational School of Van, Yuzuncu Yil University, Van, Turkey . 2 Physics Department, Faculty of Sciences, Yüzüncü Yil University, Van, Turkey . ABSTRACT On the basis of first principles calculations using density functional theory, we explore the structural and electronic properties of two binaries: CaO and MgO in rock salt structures. Structural properties of the semiconductor Ca χ Mg 1-χ O alloys are derived from total-energy minimization within the Gene...
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