Mechanism of resonant x-ray magnetic scattering in NiO

Igarashi, Jun–ichi; Takahashi, Manabu

doi:10.1103/physrevb.63.184430

Cited by 17 publications

(10 citation statements)

References 23 publications

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“…Finally we point out that this type of ab initio calculation can be applied to analyzing the magnetic RXS spectra at the K edge in transition-metal compounds, 31,32 and may clarify the p orbital polarization in antiferromagnetic phases. According to our recent calculation of the magnetic RXS spectra in NiO, 33 the main peak intensity almost disappears when the SOI on the 4p band is turned off.…”

Section: Discussionmentioning

confidence: 99%

X-ray magnetic circular dichroism at theKedge ofMn3GaC

Takahashi

Igarashi

2003

Phys. Rev. B

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We theoretically investigate the origin of the x-ray magnetic circular dichroism ͑XMCD͒ spectra at the K edges of Mn and Ga in the ferromagnetic phase of Mn 3 GaC on the basis of an ab initio calculation. Taking account of the spin-orbit interaction in the local density approximation scheme, we obtain the XMCD spectra in excellent agreement with the recent experiment. We have analyzed the origin of each structure, and thus elucidated the mechanism for inducing the orbital polarization in the p symmetric states. We also discuss a simple sum rule connecting the XMCD spectra with the orbital moment in the p symmetric states.

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Section: Discussionmentioning

confidence: 99%

X-ray magnetic circular dichroism at theKedge ofMn3GaC

Takahashi

Igarashi

2003

Phys. Rev. B

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“…The sensitivity of the experiment to magnetic order at the quadrupole, 1s-3d, threshold energy has its origin in the spin polarization of the 3d states, whilst at the 1s-4 p dipole transition energy the resonant enhancement for magnetic reflections is due to the 4p-3d intra-atomic Coulomb interaction and to the mixing of the 4p with the 3d states of neighboring Cu atoms. 18 The two resonant terms are superimposed to a much weaker, nonresonant contribution. 19,20 Both the resonant and the nonresonant magnetic scattering amplitudes depend on the polarization of the incident (, ) and of the scattered (Ј, Ј) photons, and are discussed in Refs.…”

Section: Experimental Methods and Detailsmentioning

confidence: 99%

Resonant x-ray scattering study of magnetic and orbital order inKCuF3

et al. 2002

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We present the results of resonant x-ray scattering experiments on KCuF 3 . Structurally forbidden reflections, corresponding to magnetic and 3d-orbital long-range order, have been observed. Integrated intensities have been measured as a function of incident energy, polarization, azimuthal angle, and temperature. By means of ab initio local spin density approximation ͑LSDA͒ and local spin density approximation with on-site Coulomb interaction ͑LSDAϩU͒ calculations we determine the electronic structure of KCuF 3 and obtain the resonant x-ray scattering spectrum at the Cu K edge, which shows good agreement with the experimental data. Orbital and spin degrees of freedom are strongly coupled, and the temperature dependence of the intensity of orbital Bragg peaks reveals a correlation between magnetic and orbital order parameters.

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“…21 The density matrix mm Ј ( j) becomes symmetric by neglecting the spin-orbit interaction. 27,28 Using ␣, ␤, ␥, , , and , functions of , the matrix at the V1 site can be represented as (1) …”

Section: Rxs Spectramentioning

confidence: 99%

Lattice distortion and VK-edge resonant x-ray scattering inYVO3

Takahashi

Igarashi

2002

Phys. Rev. B

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We study the V K-edge resonant x-ray scattering ͑RXS͒ in YVO 3 by using an ab initio band-structure calculation based on the local-density approximation. Using the muffin-tin approximation that averages the potential coming from orbitally polarized 3d states, we eliminate the effect of the anisotropic term of the 3d-4p Coulomb interaction on the 4p states. We find that the spectra consist of several peaks as a function of the photon energy, in good agreement with a recent experiment. We clarify the role of the GdFeO 3 -type distortion, which is quite different from that of the Jahn-Teller distortion. Thereby we successfully explain the observed spectral change between the low-and intermediate-temperature phases in the ͑100͒ reflection. The azimuthal angle dependence is shown in good agreement with the experiment. The present calculation strongly suggests that the RXS intensity arises mainly from the lattice distortion.

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Mechanism of resonant x-ray magnetic scattering in NiO

Cited by 17 publications

References 23 publications

X-ray magnetic circular dichroism at theKedge ofMn3GaC

X-ray magnetic circular dichroism at theKedge ofMn3GaC

Resonant x-ray scattering study of magnetic and orbital order inKCuF3

Lattice distortion and VK-edge resonant x-ray scattering inYVO3

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