First-Principles Study on the Magnetic Anisotropy in Multiferroic PbVO3 and BiCoO3

Journal of the Physical Society of Japan Volume 78 Issue 8 published_at 2009-07-27
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Title ( eng )
First-Principles Study on the Magnetic Anisotropy in Multiferroic PbVO3 and BiCoO3
Creator
Uratani Yoshitaka
Source Title
Journal of the Physical Society of Japan
Volume 78
Issue 8
Abstract
Magnetic anisotropy energies (MAE) of multiferroic PbVO3 and BiCoO3 are evaluated from first-principles density functional calculations. Even though both oxides have similar crystal and electronic structures, calculated easy axes of spin are different: [110] in PbVO3 and [001] in BiCoO3. To explain the difference, the origin of MAE is discussed with a perturbation theory by taking into account of the electronic structure obtained by the first-principles calculations.
Keywords
electronic structure
first-principles calculations
spin-orbit interaction
magnetic anisotropy
Multiferroics
orbital order
perovskites
NDC
Physics [ 420 ]
Language
eng
Resource Type journal article
Publisher
Physical Soc Japan
Date of Issued 2009-07-27
Rights
Copyright (c) 2009 The Physical Society of Japan
Publish Type Author’s Original
Access Rights open access
Source Identifier
[ISSN] 0031-9015
[DOI] 10.1143/JPSJ.78.084709
[NCID] AA00704814
[DOI] http://dx.doi.org/10.1143/JPSJ.78.084709