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1.
Phys Rev Lett ; 120(15): 157203, 2018 Apr 13.
Article in English | MEDLINE | ID: mdl-29756866

ABSTRACT

Electric field effects on magnetism in metals have attracted widespread attention, but the microscopic mechanism is still controversial. We experimentally show the relevancy between the electric field effect on magnetism and on the electronic structure in Pt in a ferromagnetic state using element-specific measurements: x-ray magnetic circular dichroism (XMCD) and x-ray absorption spectroscopy (XAS). Electric fields are applied to the surface of ultrathin metallic Pt, in which a magnetic moment is induced by the ferromagnetic proximity effect resulting from a Co underlayer. XMCD and XAS measurements performed under the application of electric fields reveal that both the spin and orbital magnetic moments of Pt atoms are electrically modulated, which can be explained not only by the electric-field-induced shift of the Fermi level but also by the change in the orbital hybridizations.

2.
Phys Chem Chem Phys ; 18(5): 4078-85, 2016 Feb 07.
Article in English | MEDLINE | ID: mdl-26778078

ABSTRACT

First principles calculations in the framework of Density Functional Theory (DFT) and wavefunction-based correlated methods have been performed to investigate in detail the magnetic anisotropy in Sr3NiPtO6. This material is known for the easy-plane anisotropy with a large anisotropy constant of about 7.5-9.3 meV. We find that by properly choosing the onsite Coulomb repulsion and exchange parameters, DFT can correctly explain the easy-plane magnetocrystalline anisotropy of the material, but the magnitude of the anisotropy constant is underestimated. On the other hand, a quantitative agreement with respect to experiments, both in the magnitude and direction of the magnetic anisotropy, can be recovered by using the wavefunction-based approach which is able to fully describe the multiplet physics. We also show that the presence of structural distortions of the local NiO6 coordination is crucial for stabilizing the magnetic anisotropy in this compound.

3.
J Chem Theory Comput ; 6(10): 3092-101, 2010 Oct 12.
Article in English | MEDLINE | ID: mdl-26616771

ABSTRACT

The antisymmetric magnetic interaction is studied using correlated wave-function-based calculations in oxo-bridged copper bimetallic complexes. All of the anisotropic multispin Hamiltonian parameters are extracted using spin-orbit state interaction and effective Hamiltonian theory. It is shown that the methodology is accurate enough to calculate the antisymmetric terms, while the small symmetric anisotropic interactions require more sophisticated calculations. The origin of the antisymmetric anisotropy is analyzed, and the effect of geometrical deformations is addressed.

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