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Université de Fribourg

Ligand electronic parameters as a measure of the polarization of the C≡O bond in [M(CO)(x)L(y)]n complexes and of the relative stabilization of [M(CO)(x)L(y)](n/n+1) species

Zobi, Fabio

In: Inorganic Chemistry, 2010, vol. 49, no. 22, p. 10370-10377

The electronic description of octahedral (fac-[M(CO)(3)L(3)](n), with M = Re, Ru, and Mn, and [Cr(CO)(5)L](n)), square-planar (cis-[Pt(CO)(2)L(2)](n)), and tetrahedral ([Ni(CO)(3)L](n)) carbonyl complexes (where L = monodentate ligand) was obtained via density functional theory and natural population analyses in order to understand what effects are probed in these species by vibrational...

Université de Fribourg

Signatures of bosonic excitations in high-harmonic spectra of Mott insulators

Lysne, Markus ; Murakami, Yuta ; Werner, Philipp

In: Physical Review B, 2020, vol. 101, no. 19, p. 195139

The high-harmonic spectrum of the Mott insulating Hubbard model has recently been shown to exhibit plateau structures with cutoff energies determined by nth-nearest- neighbor doublon-holon recombination processes. The spectrum thus allows one to extract the on-site repulsion U. Here, we consider generalizations of the single-band Hubbard model and discuss the signatures of bosonic excitations...

Université de Fribourg

Adsorption-induced kondo effect in metal-free phthalocyanine on Ag(111)

Granet, J. ; Sicot, M. ; Gerber, I. C. ; Kremer, Geoffroy ; Pierron, T. ; Kierren, B. ; Moreau, L. ; Fagot-Revurat, Y. ; Lamare, S. ; Chérioux, F. ; Malterre, D.

In: The Journal of Physical Chemistry C, 2020, vol. 124, no. 19, p. 10441–10452

We report on the formation of a two-dimensional supramolecular Kondo lattice made of organic molecules comprising only C, N, and H atoms, namely metal-free phthalocyanines 2HPc (C32H18N8), adsorbed on a Ag(111) surface. Low-temperature scanning tunneling microscopy/spectroscopy (LT-STM/STS), ultraviolet photoemission spectroscopy (UPS), and density functional theory (DFT) are used to...

Université de Fribourg

Probing intraband excitations in ${\mathrm{ZrTe}}_{5}$: A high-pressure infrared and transport study

Santos-Cottin, D. ; Padlewski, M. ; Martino, E. ; David, S. Ben ; Mardelé, F. Le ; Capitani, F. ; Borondics, F. ; Bachmann, M. D. ; Putzke, C. ; Moll, P. J. W. ; Zhong, R. D. ; Gu, G. D. ; Berger, H. ; Orlita, M. ; Homes, C. C. ; Rukelj, Z. ; Akrap, Ana

In: Physical Review B, 2020, vol. 101, no. 12, p. 125205

Zirconium pentatetelluride, ZrTe5, shows remarkable sensitivity to hydrostatic pressure. In this work we address the high-pressure transport and optical properties of this compound, on samples grown by flux and chemical vapor transport. The high-pressure resistivity is measured up to 2 GPa, and the infrared transmission up to 9 GPa. The dc conductivity anisotropy is determined using a...

Université de Fribourg

A new species of Palaeopython (Serpentes) and other extinct squamates from the Eocene of Dielsdorf (Zurich, Switzerland)

Georgalis, Georgios L. ; Scheyer, Torsten M.

In: Swiss Journal of Geosciences, 2019, vol. 112, no. 2, p. 383–417

The lizard and snake fauna from the late middle–late Eocene (MP 16–MP 20) of Dielsdorf, near Zurich, Switzerland, is described comprehensively in this paper. Detailed comparisons of the Dielsdorf material with other extinct taxa allow us to establish a new species of the large “booid” genus Palaeopython, i.e., Palaeopython helveticus sp. nov., characterized by a unique combination of...