(Cu/Ag)GaS2 are technologically important chalcopyrite semiconductors for their large birefringence coefficients. Their use in the non-linear optics is mostly due to the presence in the crystallographic structure of different cations that characterise their non-cubic phase. In this work we compare the theoretical ab-initio results obtained in full-potential FLAPW method with very refined experimental data obtained with accurate X-ray analysis. In particular we focus our attention on the electronic distribution along the significative bonding direction connecting the three atoms.
An experimental and theoretical analysis of Cu/Ag chalcopyrites
CONTINENZA, Alessandra;
1998-01-01
Abstract
(Cu/Ag)GaS2 are technologically important chalcopyrite semiconductors for their large birefringence coefficients. Their use in the non-linear optics is mostly due to the presence in the crystallographic structure of different cations that characterise their non-cubic phase. In this work we compare the theoretical ab-initio results obtained in full-potential FLAPW method with very refined experimental data obtained with accurate X-ray analysis. In particular we focus our attention on the electronic distribution along the significative bonding direction connecting the three atoms.File in questo prodotto:
Non ci sono file associati a questo prodotto.
Pubblicazioni consigliate
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.