Electronic structure of LiMnO2: X-ray emission and photoelectron spectra and band structure calculations

Autor(en): Galakhov, VR
Korotin, MA
Ovechkina, NA
Kurmaev, EZ
Gorshkov, VS
Kellerman, DG
Bartkowski, S
Neumann, M
Stichwörter: FILMS; FIRST-PRINCIPLES; KNOWLEDGE; LA1-XSRXMNO3; M=TI; MN; PHOTOEMISSION SPECTRA; Physics; Physics, Condensed Matter; SPECTROSCOPY; TRANSITION-METAL COMPOUNDS
Erscheinungsdatum: 2000
Herausgeber: SPRINGER VERLAG
Journal: EUROPEAN PHYSICAL JOURNAL B
Volumen: 14
Ausgabe: 2
Startseite: 281
Seitenende: 286
Zusammenfassung: 
The electronic structure of LiMnO2 and Li2MnO3 was studied by means of X-ray photoelectron and soft X-ray emission spectroscopy. For LiMnO2, LSDA and LSDA+U calculations were carried out. The LSDA+U calculations are in rather good agreement with the measured valence-band structure as well as with the magnetic and electrical properties of LiMnO2. It is shown that the band gap in LiMnO2 is determined by the charge-transfer effect.
ISSN: 14346028
DOI: 10.1007/s100510050130

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