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....
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In: Earth and Planetary Science Letters, 2020, vol. 545, p. 116390
Due to their large heat and moisture storage capabilities, the tropics are fundamental in modulating both regional and global climate. Furthermore, their thermal response during past extreme warming periods, such as super interglacials, is not fully resolved. In this regard, we present high-resolution (analytical) foraminiferal geochemical (δ18O and Mg/Ca) records for the last 1800 kyr from...
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In: The Journal of Physical Chemistry Letters, 2020, vol. 11, no. 13, p. 5037–5043
In this work, cobalamins with different upper axial substituents and a cobalamin derivative with a ring modification were studied using chiroptical spectroscopies, in particular resonance Raman optical activity (RROA), to shed light on the influence of structural modifications on RROA spectra in these strongly chiral systems in resonance with multiple excited states at 532 nm excitation. We...
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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...
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In: Journal of Electron Spectroscopy and Related Phenomena, 2019, vol. 233, p. 11–21
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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...
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In: Journal of Superconductivity, 2005, vol. 18, no. 2, p. 175-183
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In: Infection, 2007, vol. 35, no. 5, p. 308-319
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In: Journal of Superconductivity and Novel Magnetism, 2006, vol. 19, no. 1-2, p. 53-57
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In: The Journal of Physical Chemistry A, 2018, vol. 122, no. 4, p. 1146–1155
We present a comprehensive study of resonance formation in electron collisions with thiophene. Detailed calculations have been performed using the ab initio R-matrix method. Absolute differential cross sections for electron impact excitation up to 18 eV and for two scattering angles, 90 and 135°, have been measured. Agreement between the calculated and measured experimental cross sections is...
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