Optical Properties of real surfaces from microscopic calculations of the dielectric function of finite atomic slabs
Articolo
Data di Pubblicazione:
2003
Citazione:
Optical Properties of real surfaces from microscopic calculations of the dielectric function of finite atomic slabs / C. Hogan, R. Del Sole, G. Onida. - In: PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS. - ISSN 1098-0121. - 68:3(2003 Jul 15), pp. 35405.1-35405.7. [10.1103/PhysRevB.68.035405]
Abstract:
We present a critical analysis of the procedures and approximations which are generally used to obtain the optical properties of a real solid surface starting from microscopic calculations of the dielectric function of a finite atomic slab. We show that relatively thin slabs-often the only ones accessible to modern ab initio methods-are indeed adequate provided that the proper procedure is followed for the extraction of the actual surface contributions, and we point out some possible sources of artifacts that should be avoided.
Tipologia IRIS:
01 - Articolo su periodico
Keywords:
ab initio calculations; dielectric function; reflectivity;
Elenco autori:
C. Hogan, R. Del Sole, G. Onida
Link alla scheda completa: