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CdGeN2 and ZnGe0.5Sn0.5N2: Two New Nitride Semiconductors with Band Gaps in the Blue-Green
Abstract:
First-principles calculations are presented for CdGeN2 and ZnGe0.5Sn0.5N2 compounds with the orthorhombic structure derived from wurtzite. Lattice constants and internal parameters are obtained from local density approximation full-potential linearized muffin-tin orbital calculations and the quasiparticle self-consistent GW method is used to calculate the band structures. Corrections for zero-point motion and exciton binding energy are included. Both approaches lead to gaps in the blue-green region.
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1331-1334
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May 2012
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© 2012 Trans Tech Publications Ltd. All Rights Reserved
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