E 43 Electronic structure of LiMnO2: X-ray emission and photoelectron spectra and band structure calculations / V. R. Galakhov, M. A. Korotin, N. A. Ovechkina, E. Z. Kurmaev, V. S. Gorshkov, D. G. Kellerman, S. Bartkowski, M. Neumann // European Physical Journal B: Condensed Matter Physics. - 2000. - Vol. 14. - P281-286 : il. - Bibliogr. : p. 286 (27 ref.) Рубрики: ХИМИЧЕСКИЕ НАУКИ Кл.слова (ненормированные): МАНГАНИТ ЛИТИЯ -- РЕНТГЕНОВСКАЯ ФОТОЭЛЕКТРОННАЯ СПЕКТРОСКОПИЯ -- ФЛУОРЕСЦЕНЦИЯ Аннотация: 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 Полный текст |