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https://repositorio.ufba.br/handle/ri/6479
metadata.dc.type: | Artigo de Periódico |
Title: | Strong polaronic effects on rutile TiO2 electronic band edges |
Other Titles: | Applied Physics Letters |
Authors: | Persson, Clas Silva, Antonio Ferreira da |
metadata.dc.creator: | Persson, Clas Silva, Antonio Ferreira da |
Abstract: | Thin TiO2 films are prepared by dc magnetron sputtering as well as by the sol-gel technique, and the optical band edge absorption asvd is obtained from transmission spectroscopy. The electronic structure and optical properties are studied employing a first-principle linearized augmented plane-wave method within the local density approximation sLDAd, improved by an on-site Coulomb self-interaction potential sLDA+USICd. We show that the correction potential, the polaronic screening, and the spin-orbit interaction are crucial for determining the TiO2 effective electron and hole masses. The dielectric function «svd=«1svd+i«2svd and the high-frequency constant «s0!v!Eg /"d show pronounced anisotropy. The electron-optical phonon interaction affects «sv<0d strongly. |
Publisher: | American Institute of Physics |
URI: | http://www.repositorio.ufba.br/ri/handle/ri/6479 |
Issue Date: | 2005 |
Appears in Collections: | Artigo Publicado em Periódico (FIS) |
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