Charge order in Fe2OBO3: An LSDA+U study
نویسندگان
چکیده
I. Leonov,1 A. N. Yaresko,2 V. N. Antonov,3 J. P. Attfield,4 and V. I. Anisimov5 1Theoretical Physics III, Center for Electronic Correlations and Magnetism, Institute for Physics, University of Augsburg, Germany 2Max-Planck Institute for the Physics of Complex Systems, Dresden, Germany 3Institute of Metal Physics, Vernadskii Street, 03142 Kiev, Ukraine 4Centre for Science at Extreme Conditions, University of Edinburgh, Erskine, Williamson Building, King‘s Buildings, Mayfield Road, Edinburgh EH9 3JZ, United Kingdom 5Institute of Metal Physics, Russian Academy of Science-Ural Division, 620219 Yekaterinburg GSP-170, Russia Received 23 February 2005; published 1 July 2005
منابع مشابه
Comment on “ Charge order in Fe 2 OBO 3 : An LSDA + U study ”
In a recently published paper Phys. Rev. B 72, 014407 2005 , Leonov et al. present an LSDA+U study of the low temperature monoclinic structure of the iron oxoborate Fe2OBO3 . They report on Fe2+-Fe3+ charge ordering without taking into account recent resonant x-ray scattering experiments, which demonstrate the lack of charge ordering in a closely related oxide such as Fe3O4. They propose that t...
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تاریخ انتشار 2005