Search results for "photoemission spectroscopy"
showing 8 items of 108 documents
Photon Energy Dependent Hard X-ray Photoemission Spectroscopy of YbCu2Si2
2012
We have performed photon energy ( h ν) dependent hard X-ray photoemission spectroscopy (HAXPES) for YbCu 2 Si 2 , which is a heavy Fermion compound with intermediate Yb valence. We identified that the bulk components in the Si 1 s and Yb 3 d spectra develop with increasing h ν from 2.5 to 6 keV. Moreover, the temperature dependence of the Yb 3 d spectra measured at h ν= 8 keV has shown a valence fluctuation behavior. These results suggest that high h ν HAXPES is essential to determine the mean valence of the Yb compounds.
Electronic and magnetic properties of Mn 12 molecular magnets on sulfonate and carboxylic acid prefunctionalized gold surfaces
2012
Structural, electronic, and magnetic properties of [Mn 12O 12(bet) 16(EtOH) 4](PF 6) 14·4CH 3CN·H 2O (in short Mn 12bet, bet = betaine = +N(CH 3) 3-CH 2-COO -) single-molecule magnets (SMMs) deposited on previously functionalized gold surfaces have been investigated. Self-assembled monolayers (SAMs) either of sodium mercaptoethanesulfonate (MES) or mercaptopropionic acid (MPA) are used as functionalization to avoid the direct interaction between the Mn 12bet molecules and the Au surface with the aim of preserving the main functional properties of the molecules. Scanning tunneling microscopy (STM) and X-ray photoemission spectroscopy (XPS) analysis show deposited Mn 12bet SMMs well-isolated …
Geometric and electronic structure of dithiapyranylidine: evolution upon oxidation
1993
Abstract We present a theoretical investigation of the modifications that successive oxidation induces on the geometric and electronic structures of the π-electron donor dithiapyranylidene. The lengthening of the double bonds and the shortening of the single bonds calculated as the molecular charge increases indicate a gain of aromaticity with oxidation. Both the geometricand the electronic structure of dithiapyranylidene show a clear evolution towards those of biphenyl as oxidation takes place.
Amorphous Complexes MM (EDTA) (H2O)4 · 2H2O . LAXS and XPS Investigation of the Local Structure
1988
Abstract The amorphous MM (EDTA)(H2O)4·2 H2O (M = Ni,Co) substances are made up of infinite chains of alternating "hydrated" and "chelated" octahedra bridged by carboxylate groups: M(H2O)4 - M(EDTA)-M(H2O)4-... . XPS enables to ascertain that the coordination of the EDTA ligand in the amorphous phase is identical to that in the crystalline phase, i.e., hexacoordination toward the M atom and two bridging groups in the Ni -Ni, Co - Co compounds.
Hartree-Fock calculations and photoelectron spectra of SSO and NSF
1974
Results from ab initio Hartree-Fock calculations on the ground states of SSO and NSF are reported. The calculations employ large basis sets of Gaussian functions of essentially double zeta quality. The photoelectron spectra of the bent triatomic molecules with 18 valence electrons, i.e. SSO, NSF, O3, SO2, NSCl are compared. Further experimental details of the photoelectron spectrum of SSO are presented and an assignment of the observed ionic states of SSO⊕ is attempted. The calculated dissociation energies, dipole moments and the population analyses are given. The correlation effect is qualitatively discussed in connection with the applicability of Koopmans' theorem for the bent tri-atomic …
Embedded-atom calculations of Auger and x-ray photoemission shifts for metallic elements
1982
Change in self-consistent-field energy density-functional calculations are reported for Auger and core-level binding-energy shifts in sp-bonded metals. The basic model, atom in jellium vacancy, gives good agreement with experiment, especially in the Auger case. The chemical and relaxation contributions to the shifts are discussed, and the extra-atomic response is analyzed in detail, both in position and energy space. The adequacy of the "excited-atom" approach to the energy shifts is discussed. Peer reviewed
Hard x-ray photoelectron spectroscopy: a snapshot of the state-of-the-art in 2020
2021
Journal of physics / Condensed matter 33(23), 233001 (1-44) (2021). doi:10.1088/1361-648X/abeacd
Time-resolved core-level photoemission data of tungsten diselenide
2020
Pump-probe core-level photoemission spectroscopy data of tungsten diselenide (WSe2) measured using an electron momentum microscope at the FLASH Free-electron laser.