ULTRAVIOLET INVERSE PHOTOEMISSION FROM IRON MONOXIDE AND SELF-INTERACTION-CORRECTED LOCAL-SPIN-DENSITY CALCULATIONS

@article{ ISI:A1992JZ03900008,
Author = {BRAICOVICH, L and CICCACCI, F and PUPPIN, E and SVANE, A and GUNNARSSON,
   O},
Title = {{ULTRAVIOLET INVERSE PHOTOEMISSION FROM IRON MONOXIDE AND
   SELF-INTERACTION-CORRECTED LOCAL-SPIN-DENSITY CALCULATIONS}},
Journal = {{PHYSICAL REVIEW B}},
Year = {{1992}},
Volume = {{46}},
Number = {{19}},
Pages = {{12165-12174}},
Month = {{NOV 15}},
Abstract = {{We present inverse photoemission (IP) results from FexO taken in the
   isochromat mode at a variety of photon energies in the ultraviolet
   (11.5-23-eV) and the FeO partial and total density of states calculated
   in the self-interaction-corrected-local-spin-density approximation
   (SIC-LSD). The measurements show the Fe 3d contribution just above the
   bottom of the conduction band E(c) and point out a contribution of the
   type d8L (L denotes ligand hole) 12 eV above E(c); this is superimposed
   on oxygen (p)-derived states. The comparison with IP and with available
   direct photoemission results shows the advantages of SIC-LSD over LSD:
   in particular, the calculations give a gap and account for a
   distribution of the Fe 3d character in a wide energy range (15 eV) in
   the ground state. Moreover, the comparison with the experiment reshows
   that SIC-LSD gives a satisfactory approximate evaluation of the Coulomb
   energy U and of the charge-transfer energy DELTA to be used in an
   impurity model to treat the spectral features that cannot be described
   by the SIC-LSD eigenvalues (d6L and d8L final states in direct and
   inverse photoemission, respectively).}},
Publisher = {{AMERICAN PHYSICAL SOC}},
Address = {{ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}},
Type = {{Article}},
Language = {{English}},
Affiliation = {{BRAICOVICH, L (Corresponding Author), POLITECN MILAN,DEPT PHYS,PIAZZA LEONARDO DA VINCI 32,I-20133 MILAN,ITALY.
   AARHUS UNIV,INST PHYS,DK-8000 AARHUS,DENMARK.
   MAX PLANCK INST FESTKORPERFORSCH,W-7000 STUTTGART 80,GERMANY.}},
DOI = {{10.1103/PhysRevB.46.12165}},
ISSN = {{0163-1829}},
Keywords-Plus = {{TRANSITION-METAL MONOXIDES; ELECTRONIC-STRUCTURE; FUNCTIONAL FORMALISM;
   VALENCE-BAND; ORBITAL POLARIZATION; MOTT INSULATORS; NIO; STATES; COO;
   OXIDES}},
Research-Areas = {{Materials Science; Physics}},
Web-of-Science-Categories  = {{Materials Science, Multidisciplinary; Physics, Applied; Physics,
   Condensed Matter}},
ResearcherID-Numbers = {{Gunnarsson, Olle/B-4011-2012
   ciccacci, franco/N-9392-2013
   }},
ORCID-Numbers = {{ciccacci, franco/0000-0002-1131-4748
   Braicovich, Lucio/0000-0001-6548-9140}},
Number-of-Cited-References = {{54}},
Times-Cited = {{11}},
Usage-Count-Last-180-days = {{0}},
Usage-Count-Since-2013 = {{3}},
Journal-ISO = {{Phys. Rev. B}},
Doc-Delivery-Number = {{JZ039}},
Unique-ID = {{ISI:A1992JZ03900008}},
DA = {{2020-12-22}},
}