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  Anomalous anisotropic exciton temperature dependence in rutile TiO2

Baldini, E., Dominguez, A., Chiodo, L., Sheveleva, E., Yazdi-Rizi, M., Bernhard, C., et al. (2017). Anomalous anisotropic exciton temperature dependence in rutile TiO2. Physical Review B, 96(4): 041204. doi:10.1103/PhysRevB.96.041204.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0001-76DC-3 Version Permalink: http://hdl.handle.net/21.11116/0000-0003-A4AF-F
Genre: Journal Article

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PhysRevB.96.041204.pdf (Publisher version), 406KB
 
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https://dx.doi.org/10.1103/PhysRevB.96.041204 (Publisher version)
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 Creators:
Baldini, E.1, Author
Dominguez, A.2, Author              
Chiodo, L.3, Author
Sheveleva, E.4, Author
Yazdi-Rizi, M.4, Author
Bernhard, C.4, Author
Rubio, A.2, 5, Author              
Chergui, M.1, Author
Affiliations:
1Laboratory of Ultrafast Spectroscopy, ISIC and Lausanne Centre for Ultrafast Science (LACUS), École Polytechnique Fédérale de Lausanne, ou_persistent22              
2Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_2266715              
3Unit of Nonlinear Physics and Mathematical Modeling, Department of Engineering, Università Campus Bio-Medico di Roma, ou_persistent22              
4Department of Physics, University of Fribourg, ou_persistent22              
5Departamento Física de Materiales, Universidad del País Vasco, ou_persistent22              

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 Abstract: Elucidating the details of electron-phonon coupling in semiconductors and insulators is a topic of pivotal interest, as it governs the transport mechanisms and is responsible for various phenomena such as spectral-weight transfers to phonon sidebands and self-trapping. Here, we investigate the influence of the electron-phonon interaction on the excitonic peaks of rutile TiO2, revealing a strong anisotropic polarization dependence with increasing temperature, namely, an anomalous blue shift for light polarized along the a axis and a conventional red shift for light polarized along the c axis. By employing many-body perturbation theory, we identify two terms in the electron-phonon interaction Hamiltonian that contribute to the anomalous blue shift of the a-axis exciton. Our approach paves the way to a complete ab initio treatment of the electron-phonon interaction and of its influence on the optical spectra of polar materials.

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Language(s): eng - English
 Dates: 2017-04-032017-07-192017-07-19
 Publication Status: Published in print
 Pages: -
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 Rev. Method: Peer
 Identifiers: DOI: 10.1103/PhysRevB.96.041204
arXiv: 1704.00176
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Project name : We thank Ingalena Bucher for her contribution during the measurements. We acknowledge financial support from the Swiss NSF via the NCCR:MUST and Contracts No. 206021 157773, No. 20020 153660, and No. 407040 154056 (PNR 70), European Research Council Advanced Grants No. H2020 ERCEA and No. 695197 DYNAMOX and QSpec-NewMat (ERC-2015-AdG-694097), Spanish Grant No. FIS2013-46159-C3-1-P, Grupos Consolidados del Gobierno Vasco (IT578-13), COST Actions CM1204 (XLIC) and MP1306 (EUSpec), and the European Union's H2020 program under Grant No. 676580 (NOMAD).
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Title: Physical Review B
  Abbreviation : Phys. Rev. B
Source Genre: Journal
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Publ. Info: Woodbury, NY : American Physical Society
Pages: - Volume / Issue: 96 (4) Sequence Number: 041204 Start / End Page: - Identifier: ISSN: 1098-0121
CoNE: /journals/resource/954925225008