Zinc-blende GaN: ab initio calculations

J.L.A. Alves; H. W. Leite Alves; C. Oliveira; R.D.S.C. Valadão; J. R. Leite

doi:10.1016/s0921-5107(97)00164-5

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Zinc-blende GaN: ab initio calculations

J.L.A. Alves H. W. Leite Alves C. Oliveira R.D.S.C. Valadão J. R. Leite

Year: 1997 Journal: Materials Science and Engineering B Vol: 50 (1-3)Pages: 57-60 Publisher: Elsevier BV

DOI: 10.1016/s0921-5107(97)00164-5

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Keywords:

Pseudopotential Ab initio Lattice constant Band gap Electronic band structure Ab initio quantum chemistry methods Bulk modulus Plane wave Condensed matter physics Materials science Direct and indirect band gaps Hydrostatic pressure Valence electron Density functional theory Molecular physics Chemistry Computational chemistry Electron Physics Thermodynamics Quantum mechanics Molecule Diffraction

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GaN-based semiconductor devices and materials

Physical Sciences → Physics and Astronomy → Condensed Matter Physics

Ga2O3 and related materials

Physical Sciences → Materials Science → Electronic, Optical and Magnetic Materials

ZnO doping and properties

Physical Sciences → Materials Science → Materials Chemistry

Zinc-blende GaN: ab initio calculations

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