CdGeN2 and ZnGe0.5Sn0.5N2: Two New Nitride Semiconductors with Band Gaps in the Blue-Green

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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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Materials Science Forum (Volumes 717-720)

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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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