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Electronic structure of LiMnO : X-ray emission and photoelectron spectra and band structure calculations |
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| Authors: | V.R. Galakhov M.A. Korotin N.A. Ovechkina E.Z. Kurmaev V.S. Gorshkov D.G. Kellerman S. Bartkowski M. Neumann |
| Affiliation: | (1) Institute of Metal Physics, Russian Academy of Sciences - Ural Division, 620219 Yekaterinburg GSP-170, Russia, RU;(2) Institute of Solid State Chemistry, Russian Academy of Sciences - Ural Division, 620219 Yekaterinburg GSP-145, Russia, RU;(3) University of Osnabrück - Fachbereich Physik, 49069 Osnabrück, Germany, DE |
| Abstract: | 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. Received 15 March 1999 and Received in final form 14 July 1999 |
| Keywords: | PACS. 71.20.-b Electron density of states and band structure of crystalline solids - 78.70.En X-ray emission spectra and fluorescence - 79.60.-i Photoemission and photoelectron spectra |
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