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.
Cappellini G., S.G. (2001). Optical properties of BN in cubic and layered hexagonal phases. PHYSICAL REVIEW. B, CONDENSED MATTER, 64(3), 351041-3510411.
Tipologia: | Articolo su rivista |
Citazione: | Cappellini G., S.G. (2001). Optical properties of BN in cubic and layered hexagonal phases. PHYSICAL REVIEW. B, CONDENSED MATTER, 64(3), 351041-3510411. |
IF: | Con Impact Factor ISI |
Lingua: | English |
Settore Scientifico Disciplinare: | Settore FIS/03 - Fisica della Materia |
Revisione (peer review): | Sì, ma tipo non specificato |
Tipo: | Articolo |
Rilevanza: | Rilevanza internazionale |
Stato di pubblicazione: | Pubblicato |
Data di pubblicazione: | 2001 |
Titolo: | Optical properties of BN in cubic and layered hexagonal phases |
Autori: | |
Autori: | Cappellini G., Satta G., Palummo M., Onida G. |
Appare nelle tipologie: | 01 - Articolo su rivista |