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https://doi.org/10.1103/physre...
Article . 1996 . Peer-reviewed
License: APS Licenses for Journal Article Re-use
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Torque method for the theoretical determination of magnetocrystalline anisotropy

Authors: , Wang; , Wu; , Wang; , Freeman;

Torque method for the theoretical determination of magnetocrystalline anisotropy

Abstract

We propose a torque method for the theoretical determination of the magnetocrystalline anisotropy (MCA) energy for systems with uniaxial symmetry. While the dependence of the total energy on the angle between the magnetization and the normal axis (\ensuremath{\theta}) can be expressed as E(\ensuremath{\theta})=${\mathit{E}}_{0}$+${\mathit{K}}_{2}$${\mathrm{sin}}^{2}$(\ensuremath{\theta})+${\mathit{K}}_{4}$${\mathrm{sin}}^{4}$(\ensuremath{\theta}), we show that the MCA energy [defined as ${\mathit{E}}_{\mathrm{MCA}}$=E(\ensuremath{\theta}=90\ifmmode^\circ\else\textdegree\fi{})-E(\ensuremath{\theta}=0\ifmmode^\circ\else\textdegree\fi{})=${\mathit{K}}_{2}$+${\mathit{K}}_{4}$] can be easily evaluated through the expectation value of the angular derivative of the spin-orbit coupling Hamiltonian (torque) at an angle of \ensuremath{\theta}=${45}^{\mathit{o}}$. Unlike other procedures, the proposed method is independent of the validity of the MCA force theorem, or of the absolute accuracy of two total energy calculations. Calculated MCA energies for the free Fe monolayer with different lattice constants are analyzed and compared with results of other ab initio calculations, especially those obtained with our previously reported state tracking method. \textcopyright{} 1996 The American Physical Society.

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
293
Top 1%
Top 1%
Top 10%