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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