Mg_1-xZn_xO alloys became of great interest recently, since in principle a wurtzite-rocksalt combination spans a wider range of optical band gaps than either a rocksalt-rocksalt or a wurtzite-wurtzite alloy. For example, alloys of ZnO (E_g =3.4 eV) with MgO (E_g =7.7 eV) could span a range from blue to deep UV, which is of interest for optical laser and light-emitting diode applications.

We report here on first-principles total-energy calculations of the structural and electronic properties of ZnO, MgO and ordered Mg_1-xZn_xO alloys in various crystal structures (CuAu-I and Luzonite) using the hybrid full-potential augmented plane-wave plus local orbitals (APW+lo) method. We have used the local-density approximation (LDA) for the exchange and correlation potential. The ground state properties, equilibrium lattice constants, bulk moduli, charge densities, band structures, and densities of states are determined.

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3. Low frequency noise measurements in InN films
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6. Optical properties of InN grown on Si(111) substrate
7. Ferromagnetism in transition-metal doped ZnS
8. Electronic and magnetic properties of Co-doped ZnO: first principles study
9. Method of Manganese co-doping of LT ZnO films
10. Formation of precipitates in Mn doped ZnO layers deposited by magnetron sputtering
11. The structure of nucleation Zn(Al)O layers for transparent metal oxide application
12. Theoretical studies of ZnS_1-xO_x alloy band structures
13. FE and MD simulation of InGaN QD formation induced by stress field of threading dislocations
14. Strain Relaxation Effect on the Properties of Ultra Thin ZnO Film on Sapphire (0001) Substrates by Pulsed Laser Deposition
15. Low and high indium fluctuation in MOCVD grown InGaN/GaN as determined by quantitative HRTEM
16. Finite element modelling of nonlinear elastic and piezoelectric properties of InN and InGaN QDs
17. Structural analysis of the behaviour of the ultrathin AlN capping layer interface during the RE implantation and annealing of GaN for electroluminescence applications
18. Energy and electronic structure of gallium and nitrogen interstitials in GaN Tilt Boundaries
19. Investigation of InN layers grown by MOCVD and MBE using analytical and high resolution TEM
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23. Full-potential study of d-electrons effects on the electronic structure of wurtzite and zinc-blende InN
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