Vacancies in the L1 shell of atoms and molecules can decay non-radiatively via Coster-Kronig decay whereby the vacancy is filled by an electron from the L2,3 shell while a second electron is emitted into the ionization continuum. This process is akin to Auger decay, but in contrast to Auger electrons, Coster-Kronig electrons have rather low kinetic...
Published in The Journal of chemical physics
Despite their unmatched success for many applications, commonly used local, semi-local, and hybrid density functionals still face challenges when it comes to describing long-range interactions, static correlation, and electron delocalization. Density functionals of both the occupied and virtual orbitals are able to address these problems. The parti...
The outermost, singly ionized valence state of N-2, the X (2)Sigma(g)(+) state, is investigated in detail as a function of the photon frequency bandwidth for core excitation to the N 1s-->pi(*) resonance, where the photon frequency is tuned in between the first two vibrational levels of this bound intermediate electronic state. We find a strong, no...
The electronic structures of amorphous a-Fe100-xZrx and a-(Fe1-yMy)(33)Zr-67 alloys (M = Co, Ni, Cu) have been investigated by using x-ray photoemission spectroscopy. For a-Fe100-xZrx, the linewidths of both the Fe 2p and Zr 3d core-level spectra become narrower with increasing x. Systematic line-shape analysis reveals that such a trend could be ei...
The electronic structures of the AgTO2 delafossites (T = Fe, Co, Ni) have been investigated using photoemission spectroscopy. T 2p spectra exhibit satellite structures around 6 eV below main peaks, reflecting the strong on-site 3d Coulomb interaction. T 2p spectra of AgTO2 (T=Fe, Co, Ni) are similar to those of alpha-Fe2O3, CoO, and NiO, respective...
open / 1 / 1 / 20 / scie / scopus
Electronic structures of RNi2 (R = Y, Ce, Pr, and Nd) are investigated systematically by using photoemission spectroscopy (PES) and compared with those of RCo2. Double-peak structures are observed in the R 4f PES spectra, in which the spectral weight near E(F) decreases from Ce to Pr and Nd, suggesting a decrease in the R 4f-Ni 3d hybridization fro...
