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Strong polaronic effects on rutile TiO2 electronic band edges
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.ORCID iD: 0000-0002-9050-5445
2005 (English)In: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 86, no 23Article in journal (Refereed) Published
Abstract [en]

Thin TiO2 films are prepared by dc magnetron sputtering as well as by the sol-gel technique, and the optical band edge absorption alpha(omega) 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 (LDA), improved by an on-site Coulomb self-interaction potential (LDA+U-SIC). 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 and the high-frequency constant epsilon(0 <

Place, publisher, year, edition, pages
2005. Vol. 86, no 23
Keyword [en]
dielectric-constant, optical-properties, films, wurtzite
URN: urn:nbn:se:kth:diva-14859DOI: 10.1063/1.1940739ISI: 000230087400021ScopusID: 2-s2.0-21244449986OAI: diva2:332900
QC 20100525Available from: 2010-08-05 Created: 2010-08-05Bibliographically approved

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