Journal of Physics D Applied Physics · 2012 · 57 citations · 25 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsMaterials PhysicsThin FilmsOxide SemiconductorsSemiconductor PhysicsSemiconductor Thin FilmsStrongly Correlated Electron SystemsThin-film MaterialsAb Initio CalculationsBand GapConcentration DependenceEllipsometryLattice ConstantsMixing EnthalpySpectroscopic EllipsometryThin Oxide Films
Abstract Reactive magnetron sputtering was used to deposit Y x Al 1− x N thin films, 0 ⩽ x ⩽ 0.22, onto Al 2 O 3 (0 0 0 1) and Si(1 0 0) substrates. X-ray diffraction and analytical electron microscopy show that the films are solid solutions. Lattice constants increase with Y concentration, in agreement with ab initio calculations. Spectroscopic ellipsometry measurements reveal a band gap decrease from 6.2 eV ( x = 0) down to 4.5 eV ( x = 0.22). Theoretical investigations within the special quasirandom structure approach show that the wurtzite structure has the lowest mixing enthalpy for 0 ⩽ x ⩽ 0.75.
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John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
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