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Université de Fribourg

Two-dimensional conical dispersion in ${\mathrm{ZrTe}}_{5}$ evidenced by optical spectroscopy

Martino, Edoardo ; Crassee, Iris ; Eguchi, Gaku ; Santos-Cottin, David ; Zhong, R. D. ; Gu, G. D. ; Berger, H. ; Rukelj, Zoran ; Orlita, M. ; Homes, Chris C. ; Akrap, Ana

In: Physical Review Letters, 2019, vol. 122, no. 21, p. 217402

Zirconium pentatelluride was recently reported to be a 3D Dirac semimetal, with a single conical band, located at the center of the Brillouin zone. The cone’s lack of protection by the lattice symmetry immediately sparked vast discussions about the size and topological or trivial nature of a possible gap opening. Here, we report on a combined optical and transport study of ZrTe5, which...

Université de Fribourg

DFT investigation of methane metathesis with L2AnCH3 actinide complexes catalysts (L = Cl, Cp, Cp*; An = Ac, Th, Pa, U, Np, Pu)

Talbi-Ingrachen, Fazia ; Talbi, Fatiha ; Kias, Farida ; Elkechai, Aziz ; Boucekkine, Abdou ; Daul, Claude

In: Computational and Theoretical Chemistry, 2018, vol. 1138, p. 123–134

In order to understand the catalytic activity of the actinide complexes L2AnCH3 (An = Ac, Th, Pa, U, Np and Pu; L = Cl, Cp and Cp∗) towards the activation of the CH bond of methane, relativistic ZORA/DFT investigations have been carried out. The results obtained from Linear Transit (LT) and Intrinsic Reaction Coordinate (IRC) calculations show that the mechanism involved in these...

Consortium of Swiss Academic Libraries

Electronic structure and optical properties of TaC from the first principles calculation

Sahnoun, M. ; Daul, C. ; Parlebas, J. C. ; Demangeat, C. ; Driz, M.

In: The European Physical Journal B - Condensed Matter and Complex Systems, 2005, vol. 44, no. 3, p. 281-286

Consortium of Swiss Academic Libraries

Optical properties of germanium dioxide in the rutile structure

Sahnoun, M. ; Daul, C. ; Khenata, R. ; Baltache, H.

In: The European Physical Journal B - Condensed Matter and Complex Systems, 2005, vol. 45, no. 4, p. 455-458

Université de Fribourg

Anomalous anisotropic exciton temperature dependence in rutile ${\mathrm{TiO}}_{2}$

Baldini, Edoardo ; Dominguez, Adriel ; Chiodo, Letizia ; Sheveleva, Evgeniia ; Yazdi-Rizi, Meghdad ; Bernhard, Christian ; Rubio, Angel ; Chergui, and Majed

In: Physical Review B, 2017, vol. 96, no. 4, p. 041204

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...