Electronic band structure and optical properties of Srn+1TinO3n+1 Ruddlesden-Popper homologous series

0343299 - ÚVGZ 2011 RIV JP eng J - Článek v odborném periodiku
Reshak, Ali H - Auluck, S. - Kityk, I.
Electronic band structure and optical properties of Srn+1TinO3n+1 Ruddlesden-Popper homologous series.
Japanese Journal of Applied Physics. Roč. 47, č. 7 (2008), s. 5516-5520. ISSN 0021-4922. E-ISSN 1347-4065
Výzkumný záměr: CEZ:AV0Z60870520
Klíčová slova: electronic structure * optical properties
Kód oboru RIV: BO - Biofyzika
Impakt faktor: 1.309, rok: 2008

State-of-the-art calculations of electronic band structures. density of states and frequency-dependent optical properties have been reported for Srn+1TinO3n+1 (n = 1, 2, 3, infinity) compounds. These materials possess indirect wide energy band gaps. The frequency dependent optical properties of n = 112.3 compounds show considerable anisotropy and positive birefringence. The conduction band minimum is is originates from Ti-d states. while the valence band maximum is governed by O-p states. The bandwidth of the Ti-d states is responsible for the decrease in the energy band gap as n changes from 1 to 2, 3 and infinity. We have analyzed the degree of hybridization on the basis of the ratio of the orbital overlapping Within the muffin tin sphere.
Trvalý link: http://hdl.handle.net/11104/0185810