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• W1495184547 abstract "Recent theoretical work has provided evidence that hybrid functionals, which include a fraction of exact (Hartree-Fock) exchange in the density functional theory exchange and correlation terms, significantly improve the description of band gaps of semiconductors compared with local and semilocal approximations. Based on a recently developed order-$N$ method for calculating the exact exchange in extended insulating systems, we have implemented an efficient scheme to determine the hybrid functional band gap. We use this scheme to study the band gap and other electronic properties of the ternary compound ${text{In}}_{1ensuremath{-}x}{text{Ga}}_{x}text{N}$ using a 64-atom supercell model." @default.
• W1495184547 created "2016-06-24" @default.
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• W1495184547 date "2009-09-02" @default.
• W1495184547 modified "2023-09-27" @default.
• W1495184547 title "Hybrid density functional calculations of the band gap of<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mtext>Ga</mml:mtext></mml:mrow><mml:mi>x</mml:mi></mml:msub><mml:msub><mml:mrow><mml:mtext>In</mml:mtext></mml:mrow><mml:mrow><mml:mn>1</mml:mn><mml:mo>−</mml:mo><mml:mi>x</mml:mi></mml:mrow></mml:msub><mml:mtext>N</mml:mtext></mml:mrow></mml:math>" @default.
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• W1495184547 doi "https://doi.org/10.1103/physrevb.80.115201" @default.
• W1495184547 hasPublicationYear "2009" @default.
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