The macroscopic dielectric function of crystalline silicon is calculated within density-functional theory, considering exchange and correlation effects beyond the local-density approximation. Reproposing an original idea of Hohenberg and Kohn, we consider a functional based on the exchange and correlation kernel of the homogeneous electron gas, K-xc(HEG). The same kernel is used in:the evaluation of the dielectric matrix, keeping local-held effects into account. The results, compared with those obtained in the local-density approximation, show a limited reduction of the well-known overestimation of the macroscopic dielectric constant. Results obtained for optical and energy loss spectra are also presented. [S0163-1829(99)00344-6].
Olevano, V., Palummo, M., Onida, G., & Del Sole, R. (1999). Exchange and correlation effects beyond the LDA on the dielectric function of silicon. PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS, 60(20), 14224-14233.
Tipologia: | Articolo su rivista |
Citazione: | Olevano, V., Palummo, M., Onida, G., & Del Sole, R. (1999). Exchange and correlation effects beyond the LDA on the dielectric function of silicon. PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS, 60(20), 14224-14233. |
Altre informazioni significative: | 10 |
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: | 1999 |
Titolo: | Exchange and correlation effects beyond the LDA on the dielectric function of silicon |
Autori: | |
Autori: | Olevano, V; Palummo, M; Onida, G; Del Sole, R |
Appare nelle tipologie: | 01 - Articolo su rivista |