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

Authors
Galakhov, VR Korotin, MA Ovechkina, NA Kurmaev, EZ Gorshkov, VS Kellerman, DG Bartkowski, S Neumann, M
Citation
Vr. Galakhov et al., Electronic structure of LiMnO2: X-ray emission and photoelectron spectra and band structure calculations, EUR PHY J B, 14(2), 2000, pp. 281-286
Citations number
29
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
EUROPEAN PHYSICAL JOURNAL B
ISSN journal
14346028 → ACNP
Volume
14
Issue
2
Year of publication
2000
Pages
281 - 286
Database
ISI
SICI code
1434-6028(200003)14:2<281:ESOLXE>2.0.ZU;2-V
Abstract
The electronic structure of LiMnO2 and Li2MnO3 was studied by means of X-ra y 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 th e magnetic and electrical properties of LiMnO2. It is shown that the band g ap in LiMnO2 is determined by the charge-transfer effect.