Magnetic structure and orbital ordering inBaCoO3from first-principles calculations
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چکیده
منابع مشابه
KCrF3: Electronic structure and magnetic and orbital ordering from first principles
Gianluca Giovannetti,1,2 Serena Margadonna,3 and Jeroen van den Brink1,4 1Institute Lorentz for Theoretical Physics, Leiden University, P.O. Box 9506, 2300 RA Leiden, The Netherlands 2Faculty of Science and Technology and MESA Institute for Nanotechnology, University of Twente, P.O. Box 217, 7500 AE Enschede, The Netherlands 3School of Chemistry, University of Edinburgh, West Mains Road, Edinbu...
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Submitted for the MAR09 Meeting of The American Physical Society Proposed Orbital Ordering in MnV2O4 from First-principles Calculations1 TANUSRI SAHA-DASGUPTA, SOUMYAJIT SARKAR, S.N.Bose National Centre for Basic Sciences, TULIKA MAITRA, Department of Physics, Indian Institute of Technology, Roorkee, India, ROSER VALENTI, Institut für Theoretische Physik, J. W. Goethe Universität, Frankfurt, Ge...
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The electronic and magnetic properties of the ferromagnetic half-metal CrO2 have been studied by using the full-potential linear muffin-tin orbital method within the local-spin-density approximation ~LSDA! and the LSDA1U approach. The orbital magnetic moments are investigated by including the spin-orbit coupling in both schemes. Compared with the orbital contributions to magnetization in other ...
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Calculations of the linestrengths and transition frequencies of the forbidden pure rotational spectrum of Hz in the vibrationally excited v2 state are presented. These transitions occur in the far-infrared region, and their observation may be complicated by vi u2 difference transitions. Examples of these are also given. Forbidden rovibrational transition frequencies and linestrengths have also ...
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We present calculations for electronic and magnetic properties of surface states confined by a circular quantum corral built of magnetic adatoms (Fe) on a Cu(111) surface. We show the oscillations of charge and magnetization densities within the corral and the possibility of the appearance of spin–polarized states. In order to classify the peaks in the calculated density of states with orbital ...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2004
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.70.144422