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Université de Fribourg

Mapping the unoccupied state dispersions in ${\mathrm{Ta}}_{2}{\mathrm{NiSe}}_{5}$ with resonant inelastic x-ray scattering

Monney, Claude ; Herzog, Marc ; Pulkkinen, Aki ; Huang, Y. ; Pelliciari, Jonathan ; Olalde-Velasco, P. ; Katayama, Naoyuk ; Nohara, Minoru ; Takagi, Hide ; Schmitt, Thorsten ; Mizokawa, Takashi

In: Physical Review B, 2020, vol. 102, no. 8, p. 085148

The transition metal chalcogenide Ta2NiSe5 undergoes a second-order phase transition at Tc=328K involving a small lattice distortion. Below Tc, a band gap at the center of its Brillouin zone increases up to about 0.35 eV. In this work, we study the electronic structure of Ta2NiSe5 in its low-temperature semiconducting phase, using resonant inelastic x-ray scattering (RIXS) at the Ni L3 edge....

Université de Fribourg

Coupling of electronic and nuclear motion in a negative ion resonance: Experimental and theoretical study of benzene

Allan, Michael ; Čurík, Roman ; Čársky, Petr

In: The Journal of Chemical Physics, 2019, vol. 151, no. 6, p. 064119

We present calculated and measured elastic and vibrational excitation cross sections in benzene with the objective to assess the reliability of the theoretical method and to shed more light on how the electronic motion of the incoming electron is coupled with the nuclear motion of the vibrations. The calculation employed the discrete momentum representation method which involves solving the...

Université de Fribourg

Dissociative electron attachment and electronic excitation in Fe(CO)5

Allan, Michael ; Lacko, M. ; Papp, P. ; Matejčík, Š. ; Zlatar, Matija ; Fabrikant, Ilya I. ; Kočišek, J. ; Fedor, Juraj

In: Physical Chemistry Chemical Physics, 2018, vol. 20, no. 17, p. 11692–11701

In a combined experimental and theoretical study we characterize dissociative electron attachment (DEA) to, and electronically excited states of, Fe(CO)5. Both are relevant for electron-induced degradation of Fe(CO)5. The strongest DEA channel is cleavage of one metal–ligand bond that leads to production of Fe(CO)4−. High- resolution spectra of Fe(CO)4− reveal fine structures at the...

Consortium of Swiss Academic Libraries

Conformation-Specific Spectroscopy of Peptide Fragment Ions in a Low-Temperature Ion Trap

Wassermann, Tobias ; Boyarkin, Oleg ; Paizs, Béla ; Rizzo, Thomas

In: Journal of The American Society for Mass Spectrometry, 2012, vol. 23, no. 6, p. 1029-1045