Fully Relativistic Calculations of Magneto-Optical Kerr Effect

Li, Mingfang; Ariizumi, Toshihiro; Suzuki, Shigenori

doi:10.1143/jpsj.76.054702

Cited by 10 publications

(19 citation statements)

References 35 publications

(37 reference statements)

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“…A broad peak is found in the real part around 3 -6 eV with a height of about 5 Â 10 À15 s À1 , which is almost the same as the typical height of peaks in the calculated real parts of Fe and US reported previously. 14,17,32,44) A corresponding structure is also found in the imaginary part around 3 -6 eV. Analyzing the origin of transitions, we found that the broad peak around 3 -6 eV originates in two transitions, namely, the Np-5 f !…”

Section: Resultsmentioning

confidence: 71%

“…This is evident when comparing with the small Kerr rotation angle of Fe, for which the maximum rotation angle is about 0.6 . 32,44) Finally, we show the results of the calculations of the total absorption and XMCD spectra of the M 4;5 edges of Np. In Figs.…”

Section: Resultsmentioning

confidence: 99%

“…We expanded the electrostatic potential up to l ¼ 8, where l denotes the degree of spherical harmonic expansion. Furthermore, using the fully relativistic expression for the optical conductivity tensor, where the matrix elements of the Dirac matrices are used as the transition matrix elements instead of those of the momentum operator, 32) the Kerr and XMCD spectra were highly precisely calculated. In all calculations, we employed the LSDA exchange-correlation potential represented by the Perdew-Zunger parameterization of Ceperly-Alder results.…”

Section: Methods Of Calculationsmentioning

confidence: 99%

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First-Principles Study of Structural, Electronic, Magnetic, Optical, and Magneto-Optical Properties of NpN

Suzuki

Ariizumi

2008

J. Phys. Soc. Jpn.

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We study the structural, electronic, magnetic, optical, and magneto-optical properties of NpN in detail using the fully relativistic full-potential calculations based on the density functional theory within the local spin density approximation. We successfully reproduce the positive sign of the electric field gradient (EFG) at Np nuclei. The positive EFG is in striking contrast to the negative EFG in a Np 3þ free ion, indicating the importance of the interplay between spin-orbit coupling and covalent bonding in NpN. Also, the calculated band structure shows large splittings induced by spin polarization and spinorbit coupling, suggesting that both effects are indispensable for understanding the electronic properties of this material. This results in a large Kerr rotation angle of about 2 , which is comparable to those of uranium calcogenides.

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Section: Resultsmentioning

confidence: 71%

Section: Resultsmentioning

confidence: 99%

Section: Methods Of Calculationsmentioning

confidence: 99%

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First-Principles Study of Structural, Electronic, Magnetic, Optical, and Magneto-Optical Properties of NpN

Suzuki

Ariizumi

2008

J. Phys. Soc. Jpn.

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“…The XAS and XMCD spectra are calculated using the FFLCAO method as follows. [34][35][36] Firstly, we calculate the optical conductivity tensor σ ξη as a function of photon energy ω. In calculating σ ξη , we use the fully relativistic expression within the electric-dipole approximation.…”

Section: Methods Of Calculationsmentioning

confidence: 99%

Mulliken Population Analysis of X-ray Magnetic Circular Dichroism in Uranium Monochalcogenides: Examination of Sum Rules by Fully Relativistic Full-Potential LCAO Method

Suzuki

Ariizumi

2009

J. Phys. Soc. Jpn.

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We study the X-ray magnetic circular dichroism (XMCD) spectra at the U M 4,5 and N 4,5 edges of uranium monochalcogenides, UX where X=S, Se, and Te, examining the applicability of the XMCD sum rules to UX by the fully relativistic full-potential linearcombination-of-atomic-orbitals method based on the density functional theory. To extract the transitions relevant to the sum-rule analysis, we employ the Mulliken population analysis (MPA). Using the MPA, the orbital sum rule is found to be valid to 10-20 % for the M 4,5 edges and valid to 5-15 % for the N 4,5 edges. On the other hand, the spin sum rule is found to be valid to 10-20 % for the M 4,5 edges whereas valid to 30-35 % for the N 4,5 edges. Furthermore, it is found that the calculated XMCD spectra are consistent with a recent experimental observation that the intensity of the N 4,5 XMCD signal is comparable to that of the M 4,5 XMCD signal although contradicting a previous theoretical prediction that the XMCD intensity at the N 4,5 edges is one order of magnitude smaller than that at the M 4,5 edges.

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“…Numerical tests in Fe and Ni have shown that the effect of the SOI-correction v SOI j on optical conductivities and the magneto-optical Kerr effect is small [42,43]. At first glance, it is therefore surprising that a yx .…”

Section: Ab-initio Calculationsmentioning

confidence: 99%

Relation of the Dzyaloshinskii-Moriya interaction to spin currents and to the spin-orbit field

Freimuth¹,

Blügel²,

Mokrousov³

2017

Phys. Rev. B

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Starting from the general Berry phase theory of the Dzyaloshinskii-Moriya interaction (DMI) we derive an expression for the linear contribution of the spin-orbit interaction (SOI). Thereby, we show analytically that at the first order in SOI DMI is given by the ground-state spin current. We verify this finding numerically by ab-initio calculations in Mn/W(001) and Co/Pt(111) magnetic bilayers. We show that despite the strong SOI from the 5d heavy metals DMI is well-approximated by the first order in SOI, while the ground-state spin current is not. We decompose the SOIlinear contribution to DMI into two parts. One part has a simple interpretation in terms of the Zeeman interaction between the spin-orbit field and the spin misalignment that electrons acquire in magnetically noncollinear textures. This interpretation provides also an intuitive understanding of the symmetry of DMI on the basis of the spin-orbit field and it explains in a simple way why DMI and ground-state spin currents are related. Moreover, we show that energy currents driven by magnetization dynamics and associated to DMI can be explained by counter-propagating spin currents that carry energy due to their Zeeman interaction with the spin-orbit field. Finally, we discuss options to modify DMI by nonequilibrium spin currents excited by electric fields or light.

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Fully Relativistic Calculations of Magneto-Optical Kerr Effect

Cited by 10 publications

References 35 publications

First-Principles Study of Structural, Electronic, Magnetic, Optical, and Magneto-Optical Properties of NpN

First-Principles Study of Structural, Electronic, Magnetic, Optical, and Magneto-Optical Properties of NpN

Mulliken Population Analysis of X-ray Magnetic Circular Dichroism in Uranium Monochalcogenides: Examination of Sum Rules by Fully Relativistic Full-Potential LCAO Method

Relation of the Dzyaloshinskii-Moriya interaction to spin currents and to the spin-orbit field

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