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Formation and relaxation energies of electronic holes in LaMnO3 crystal

Kovaleva, NN; Gavartin, JL; Shluger, AL; Boris, AV; Stoneham, AM; (2002) Formation and relaxation energies of electronic holes in LaMnO3 crystal. Physica B: Condensed Matter , 312-31 734 - 736. 10.1016/S0921-4526(01)01240-6. Green open access

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Abstract

We use the Mott-Littleton approach to evaluate the electronic and ionic polarisation energies in LaMnO3 lattice associated with holes localised on both Mn3+ cation and O2- anion. The full lattice relaxation energy for a hole localised at the O-site is estimated as 2.4 eV which is appreciably greater than that of 0.8 eV for a hole localised at the Mn-site, indicating the strong electron-phonon interaction in the former case. The calculated thermal energies of the hole formation predict that the electronic hole is marginally more stable in the Mn4- state in LaMnO3 host lattice. but the energy of a hole in the O- state is only higher by a small amount, rather suggesting that both possibilities should be treated seriously. (C) 2002 Elsevier Science B.V. All rights reserved.

Type: Article
Title: Formation and relaxation energies of electronic holes in LaMnO3 crystal
Open access status: An open access version is available from UCL Discovery
DOI: 10.1016/S0921-4526(01)01240-6
Publisher version: http://dx.doi.org/10.1016/S0921-4526(01)01240-6
Language: English
Additional information: Text made available to UCL Discovery by kind permission of Elsevier B.V., 2012
Keywords: Colossal magnetoresistance (CMR), localised holes, polaron key energies
UCL classification: UCL > Provost and Vice Provost Offices
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Physics and Astronomy
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > London Centre for Nanotechnology
URI: http://discovery.ucl.ac.uk/id/eprint/99049
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