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Exact-Two-Component Complete Active Space Method with Variational Treatment of Magnetic Field and Spin-Orbit Coupling: Application to X-ray Magnetic Circular Dichroism Spectroscopy.
J Chem Theory Comput
November 2024
Department of Chemistry, University of Washington, Seattle, Washington 98195, United States.
We introduce an exact-two-component complete active space self-consistent-field (X2C-CASSCF) method formulated under the restricted-magnetic-balance condition. This framework allows for the nonperturbative treatment of static magnetic fields using gauge-including atomic orbitals (GIAOs). The GIAO-X2C-CASSCF methodology effectively captures all microstates within the same 2 + 1-degenerate manifold and their splitting in a static magnetic field, which are not accessible through single-reference-based methods.
View Article and Find Full Text PDFStructural, chemical, and magnetic investigation of a graphene/cobalt/platinum multilayer system on silicon carbide.
Nanotechnology
February 2024
Fakultät Physik/DELTA, TU Dortmund University, D-44221 Dortmund, Germany.
We investigate the magnetic interlayer coupling and domain structure of ultra-thin ferromagnetic (FM) cobalt (Co) layers embedded between a graphene (G) layer and a platinum (Pt) layer on a silicon carbide (SiC) substrate (G/Co/Pt on SiC). Experimentally, a combination of x-ray photoemission electron microscopy with x-ray magnetic circular dichroism has been carried out at the Co L-edge. Furthermore, structural and chemical properties of the system have been investigated using low energy electron diffraction (LEED) and x-ray photoelectron spectroscopy (XPS).
View Article and Find Full Text PDFIntrinsic Magnetic Proximity Effect at the Atomically Sharp Interface of CoFeO/Pt Grown by Molecular Beam Epitaxy.
ACS Omega
July 2023
Graduate School of Engineering, Hokkaido University, Sapporo 060-8628, Japan.
CoFeO(CFO)/Pt bilayers prepared by molecular beam epitaxy were investigated for the anomalous Hall effect and X-ray magnetic circular dichroism (XMCD). We found that the anomalous Hall effect originates from a magnetic proximity effect at the CFO/Pt interface. The XMCD signal in the Pt -edge was obtained only for the sample deposited at 600 °C, indicating that the magnetic proximity effect is sensitive to the interface structure.
View Article and Find Full Text PDFChiral structures of electric polarization vectors quantified by X-ray resonant scattering.
Nat Commun
April 2022
Department of Physics, Soongsil University, Seoul, 06978, Korea.
Article Synopsis
- Resonant elastic X-ray scattering (REXS) is a powerful technique that combines the spatial resolution of diffraction with electronic information, enabling detailed studies of solid-state systems and their magnetic, charge, spin, and orbital properties.
- A new application of REXS focuses on understanding the chiral structure of electric polarization in ferroelectric oxide superlattices, specifically analyzing the polarization vectors through an anisotropic tensor related to the quadrupole moment.
- The authors present a thorough theoretical framework to interpret experimental results from Ti L-edge REXS of a polar vortex array in a PbTiO/SrTiO superlattice, suggesting that REXS can be a valuable tool for exploring both electric and magnetic properties of ch
Incorporation of Ti in epitaxial FeTiOthin films.
J Phys Condens Matter
June 2021
Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, WA, United States of America.
The titanomagnetites (FeTiO,⩽ 1) are a family of reducible spinel-structure oxides of interest for their favorable magnetic, catalytic, and electrical transport properties. To understand the stability of the system during low temperature deposition, epitaxial thin films of FeTiOwere deposited by molecular beam epitaxy (MBE) on MgO(001) at 250-375 °C. The homogeneous incorporation of Ti, Fe valence state, and film morphology were all found to be strongly dependent on the oxidation conditions at the low substrate temperatures employed.
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