TITLE

Strong polaronic effects on rutile TiO2 electronic band edges

AUTHOR(S)
Persson, Clas; Ferreira da Silva, Antonio
PUB. DATE
June 2005
SOURCE
Applied Physics Letters;6/6/2005, Vol. 86 Issue 23, p231912
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Thin TiO2 films are prepared by dc magnetron sputtering aswell as by the sol-gel technique, and the optical band edgeabsorption α(ω) is obtained from transmission spectroscopy.The electronic structure and optical properties are studied employinga first-principle linearized augmented plane-wave method within thelocal density approximation (LDA), improved by an on-site Coulombself-interaction potential (LDA+USIC). We show that thecorrection potential, the polaronic screening, and the spin-orbitinteraction are crucial for determining the TiO2 effective electron and hole masses. The dielectric function [variant_greek_epsilon](ω)=[variant_greek_epsilon]1(ω)+i[variant_greek_epsilon]2(ω) and the high-frequency constant[variant_greek_epsilon](0≪ω≪Eg/h) show pronounced anisotropy. The electron-optical phonon interaction affects[variant_greek_epsilon](ω≈0) strongly.
ACCESSION #
17328449

 

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