University of Oulu

Electronic and optical properties of TiO_(2) nanoclusters

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Author: Rajaniemi, Tatu1
Organizations: 1University of Oulu, Faculty of Science, Physics
Format: ebook
Version: published version
Access: open
Online Access: PDF Full Text (PDF, 1.2 MB)
Persistent link: http://urn.fi/URN:NBN:fi:oulu-201612103250
Language: English
Published: Oulu : T. Rajaniemi, 2016
Publish Date: 2016-12-12
Physical Description: 28 p.
Thesis type: Master's thesis
Tutor: Alatalo, Matti
Miroshnichenko, Olga
Reviewer: Thuneberg, Erkki
Alatalo, Matti
Description:
The electronic and optical properties of the anatase polymorph of titanium dioxide has been studied using software based on density functional theory. In addition, the performance of different methods and approximations in acquiring these properties have been evaluated. The calculated properties include lattice constants and density of states of bulk material and photoabsorption spectra of nanoclusters. The original goal was to investigate, whether excitonic effects are significant in the optical properties of anatase nanoclusters. It was found that the GPAW software package could not be used to study these effects due to computational limitations.
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Copyright information: © Tatu Rajaniemi, 2016. This publication is copyrighted. You may download, display and print it for your own personal use. Commercial use is prohibited.