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The influence of correlation effects on the orbital moments for transition metals and their alloys is studied by first-principle relativistic Density Functional Theory in combination with the Dynamical Mean-Field Theory. In contrast to the…

Strongly Correlated Electrons · Physics 2009-11-13 S. Chadov , J. Minár , M. I. Katsnelson , H. Ebert , D. Ködderitzsch , A. I. Lichtenstein

We consider the magnetic circular dichroism spectrum of a crystal with broken time-reversal symmetry in the electric-dipole approximation. Using the Kubo-Greenwood formula for the absorptive part of the antisymmetric optical conductivity,…

Materials Science · Physics 2009-11-13 Ivo Souza , David Vanderbilt

The strong perpendicular magnetic anisotropy of $L{\rm1_0}$-ordered FePt has been the subject of extensive studies for a long time. However, it is not known which element, Fe or Pt, mainly contributes to the magnetic anisotropy energy…

The x-ray magnetic circular dichroism (XMCD) sum rule yields an extremely useful ground-state observable, which provides a quantitative measure of spontaneous time-reversal symmetry breaking (T-breaking) in a given material. I derive here…

Materials Science · Physics 2020-05-13 Raffaele Resta

We combine density functional theory, x-ray magnetic circular dichroism, multiplet calculations, and scanning tunneling spectroscopy to assess the magnetic properties of Fe atoms adsorbed on a thin layer of MgO(100) on Ag(100). Despite the…

We demonstrate the occurrence of compensated spin configurations in Fe clusters and monolayers on Ru(0001) and Rh(111) by a combination of X-ray magnetic circular dichroism experiments and first-principles calculations. Our results reveal…

Materials Science · Physics 2014-03-18 V. Sessi , F. Otte , S. Krotzky , C. Tieg , M. Wasniowska , P. Ferriani , S. Heinze , J. Honolka , K. Kern

Resonant and non-resonant X-ray scattering studies on HoFe3(BO3)O4 reveal competing magnetic ordering of Ho and Fe moments. Temperature and X-ray polarization dependent measurements employed at the Ho L3 edge directly reveal a spiral spin…

Strongly Correlated Electrons · Physics 2013-04-05 D. K. Shukla , S. Francoual , A. Skaugen , M. v. Zimmermann , H. C. Walker , L. N. Bezmaternykh , I. A. Gudim , V. L. Temerov , J. Strempfer

We have investigated the element specific magnetic characteristics of single-crystal FeCr2S4 using x-ray absorption spectroscopy (XAS) and x-ray magnetic circular dichroism (XMCD). We have found that the Fe L2,3-edge XAS spectra do not…

Strongly Correlated Electrons · Physics 2025-12-03 V. K. Verma , J. Patra , V. R. Singh , Y. Nonaka , G. Shibata , K. Ishigami , A. Tanaka , K. Ohgushi , Y. Tokura , T. Koide , A. Fujimori

The magnetic properties of iron (spin and orbital magnetic moments, magnetocrystalline anisotropy energy) in various geometries and dimensionalities are investigated by using a parametrized tight-binding model in an $s$, $p$ and $d$ atomic…

Materials Science · Physics 2008-04-22 Gabriel Autes , Cyrille Barreteau , Daniel Spanjaard , Marie-Catherine Desjonqueres

An electric current flowing in Pt, a material with strong spin-orbit coupling, leads to spins accumulating at the interfaces by virtue of the spin Hall effect and interfacial charge-spin conversion. We measure the influence of these…

We derive four sum-rule expressions for spectra measured in electron energy-loss near edge structure experiments. These sum-rules permit the determination spin and orbital magnetic moments, spin-orbit interaction and number of states,…

Materials Science · Physics 2009-11-13 Ján Rusz , Olle Eriksson , Pavel Novák , Peter M. Oppeneer

In using the fully relativistic versions of the Embedded Cluster and Screened Korringa-Kohn-Rostoker methods for semi-infinite systems the magnetic properties of single adatoms of Fe and Co on Ir(111) and Pt(111) are studied. It is found…

Materials Science · Physics 2009-11-13 C. Etz , J. Zabloudil , P. Weinberger , E. Y. Vedmedenko

We study the perpendicular magnetic anisotropy (PMA) of the CoFeB/MgO bilayers in contact with W, Ta, IrMn and Ti which has been suggested as the spin-orbit-torque-related underlayers. The saturation magnetization of the CoFeB depends on…

The magnetic structure of the iron monoarsenide FeAs is studied using first-principles calculations. We consider the collinear and non-collinear (spin-spiral wave) magnetic ordering and magnetic anisotropy. It is analitically shown that a…

Materials Science · Physics 2011-09-12 Dobysheva Lyudmila V. , Arzhnikov Anatoly K

We have investigated random submonolayer films of 3d transition metals on W(001). The tight-binding linear muffin-tin orbital method combined with the coherent potential approximation was employed to calculate the electronic structure of…

Materials Science · Physics 2007-06-12 M. Ondracek , J. Kudrnovsky , I. Turek , F. Maca

Corrections to the atomic orbital sum rule for circular magnetic x-ray dichroism in solids are derived using orthonormal LMTOs as a single-particle basis for electron band states.

Materials Science · Physics 2009-10-31 R. Benoist , P. Carra , O. K. Andersen

Results of ab initio calculations using the relativistic Local Spin Density theory are presented for the magnetic moments of periodic 5d and 4d transition metal interfaces with bcc Fe(001). In this systematic study we calculated the…

Materials Science · Physics 2009-11-10 R. Tyer , G. van der Laan , W. M. Temmerman , Z. Szotek , H. Ebert

Recently, a general formalism was presented for gyrotropic, ferroelectric, and multipolar order in spin-orbit coupled metals induced by spin-spin interactions. Here, I point out that the resulting order parameters are equivalent to…

Strongly Correlated Electrons · Physics 2015-08-12 M. R. Norman

The electronic and magnetic properties of Fe atoms in the ferromagnetic semiconductor (In,Fe)As codoped with Be have been studied by x-ray absorption spectroscopy (XAS) and x-ray magnetic circular dichroism (XMCD) at the Fe $L_{2,3}$ edge.…

A first-principles investigation of the anomalous ferromagnetism of a quasi-one-dimensional Co chain at the Pt(111) step edge is reported. Our calculations show that the symmetry breaking at the step leads to an easy magnetization axis at…

Materials Science · Physics 2009-11-10 Alexander B. Shick , Frantishek Maca , Peter M. Oppeneer