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...
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In: Journal of Chemical Sciences, 2014, vol. 126, no. 2, p. 511-515
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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...
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In: Environmental Science and Pollution Research, 2012, vol. 19, no. 9, p. 3696-3708
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In: Journal of Chemical Crystallography, 2007, vol. 37, no. 7, p. 469-472
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In: Frontiers of Optoelectronics in China, 2010, vol. 3, no. 1, p. 13-21
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In: The European Physical Journal B - Condensed Matter and Complex Systems, 2005, vol. 44, no. 3, p. 281-286
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In: The European Physical Journal B - Condensed Matter and Complex Systems, 2005, vol. 45, no. 4, p. 455-458
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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...
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In: Journal of Materials Research, 2010, vol. 25, no. 1, p. 189-196
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