Optical properties of BN in cubic and layered hexagonal phases

2001/03/09 by Giancarlo Cappellini, Guido Satta, Maurizia Palummo +1 · 3 citations
Materials Science · Physics and Astronomy · #2D Materials and Applications #Boron and Carbon Nanomaterials Research #Graphene research and applications #cond-mat.mtrl-sci

paper · pdf · doi:10.1103/physrevb.64.035104

RevTex 42 pages, 16 postscript figures embedded

arxiv created 2001/03/09 · openalex publication_date 2001/06/26 · arxiv updated 2009/11/30 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

Linear optical functions of cubic and hexagonal BN have been studied within first principles density functional theory in the local density approximation. Calculated energy-loss functions show reasonable agreement 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 explanations of this mismatch are proposed and evaluated: lattice constant variations, h-BN contamination in c-BN samples, and self-energy effects.

Citations

• New Method for Calculating the One-Particle Green's Function with Application to the Electron-Gas Problem
• Self-interaction correction to density-functional approximations for many-electron systems

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