Optical Properties of BN in the cubic and in the layered hexagonal phases

Details Optical Properties of BN in the cubic and in the layered hexagonal phases Optical Properties of BN in the cubic and in the layered hexagonal phases

2001-03-09

arxiv.org/abs/cond-mat/0103216v1

Physics

Condensed Matter

Materials Science

RevTex 42 pages, 16 postscript figures embedded

Scientific paper

10.1103/PhysRevB.64.035104

Linear optical functions of cubic and hexagonal BN have been studied within first principles DFT-LDA theory. Calculated energy-loss functions compare well with experiments and previous theoretical results both for h-BN and for c-BN. Discrepancies arise between theoretical results and experiments in the imaginary part of the dielectric function for c-BN. Possible explanation to this mismatch are proposed and evaluated; lattice constant variations, h-BN contamination in c-BN samples and self-energy effects.

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