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Sökning: WFRF:(Galakhov V. R.)

  • Resultat 1-6 av 6
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2.
  • Zatsepin, D.A., et al. (författare)
  • Valence states of copper ions and electronic structure of LiCu2O2
  • 1998
  • Ingår i: Phys Rev B. ; 57:8, s. 4377-4381
  • Tidskriftsartikel (refereegranskat)abstract
    • The electronic structure of LiCu2O2 was studied using x-ray emission and photoelectron spectroscopy (valence band and core levels) as well as band-structure calculations in terms of LSDA and LSDA+U approaches. According to the x-ray emission and photoelectron spectra the valence states of the Cu atoms are found to be mixed, i.e. 2+ and 1+.
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3.
  • Boukhvalov, D. W., et al. (författare)
  • Electronic structure of a Mn-12 molecular magnet : Theory and experiment
  • 2007
  • Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 75:1, s. 014419-
  • Tidskriftsartikel (refereegranskat)abstract
    • We used site-selective and element-specific resonant inelastic x-ray scattering (RIXS) to study the electronic structure and the electron interaction effects in the molecular magnet [Mn12O12(CH3COO)(16)(H2O)(4)]center dot 2CH(3)COOH center dot 4H(2)O, and compared the experimental data with the results of local spin density approximation +U electron structure calculations which include the on-site Coulomb interactions. We found a good agreement between theory and experiment for the Coulomb repulsion parameter U = 4 eV. In particular, the p-d band separation of 1.8 eV has been found from the RIXS spectra, which is in accordance with the calculations. Similarly, the positions of the peaks in the XPS spectra agree with the calculated densities of p and d states. Using the results of the electronic structure calculations, we determined the intramolecular exchange parameters, and used them for diagonalization of the Mn-12 spin Hamiltonian. The calculated exchanges gave the correct ground state with the total spin S = 10.
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6.
  • Galakhov, V. R., et al. (författare)
  • Electronic structure and x-ray spectra of defective oxides LixCoO2
  • 2006
  • Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 74:4, s. 045120-
  • Tidskriftsartikel (refereegranskat)abstract
    • X-ray absorption, resonant x-ray emission, and x-ray photoelectron spectra of the valence band and core levels have been measured for LixCoO2 (0.6 <= x <= 1.0). Resonant O K alpha x-ray emission spectra of LiCoO2 showed localized excitonic states due to a dd transition between unoccupied and occupied Co 3d states. On the basis of measurements of Co 3s x-ray photoelectron and Co 2p and O 1s x-ray absorption spectra it was established that in defective cobaltites the electronic holes are localized mainly in O 2p states. Evidence of phase separation in LixCoO2 has been found.
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  • Resultat 1-6 av 6

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