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A computational expression for the Faraday A term of magnetic circular dichroism (MCD) is derived within coupled cluster response theory and alternative computational expressions for the B term are discussed. Moreover, an approach to…

Computational Physics · Physics 2020-05-14 Rasmus Faber , Simone Ghidinelli , Christof Hättig , Sonia Coriani

We study the electronic and magnetic properties of T$_2$AlC (T=Ti and Cr) compounds in the density-functional theory using the generalized gradient approximation (GGA) with consideration of strong Coulomb correlations (GGA+$U$) in the…

Materials Science · Physics 2023-05-26 L. V. Bekenov , S. V. Moklyak , B. F. Zhuravlev , Yu. N. Kucherenko , V. N. Antonov

It is proven that the sum rules for X-ray magnetic dichroism (XMCD) spectra that are used to separate spin and orbital contributions to the magnetic moment are formally correct for an arbitrary strength of electron-electron interactions.…

Strongly Correlated Electrons · Physics 2007-05-23 V. Yu. Irkhin , M. I. Katsnelson

We present numerical simulation of the X-ray magnetic circular dichroism (XMCD) of the $L_{2,3}$ and $M_{2,3}$ edges of Ru in antiferromagnetic RuO$_2$ using a combination of density functional + dynamical mean-field theory and…

Strongly Correlated Electrons · Physics 2024-03-13 A. Hariki , Y. Takahashi , J. Kuneš

Altermagnetism is a recently identified magnetic symmetry class combining characteristics of conventional collinear ferromagnets and antiferromagnets, that were regarded as mutually exclusive, and enabling phenomena and functionalities…

We present numerical simulations of x-ray magnetic circular dichroism (XMCD) at the L$_{2,3}$ edge of Ni in the weakly ferromagnetic altermagnet NiF$_2$. Our results predict a significant XMCD signal for light propagating perpendicular to…

Materials Science · Physics 2025-05-28 A. Hariki , K. Sakurai , T. Okauchi , J. Kuneš

A first principles approach, based on the real space multiple scattering Green's function method, is presented for spin- and angle-resolved resonant photoemission from magnetic surfaces. It is applied to the Fe(010) valence band…

Strongly Correlated Electrons · Physics 2015-06-17 Fabiana Da Pieve , Peter Krueger

High-throughput X-ray magnetic circular dichroism (XMCD) spectroscopy was conducted on Fe-Co-Ni compositionally graded films to systematically analyze the variation of magnetic properties as a function of composition. On-the-fly XMCD…

Materials Science · Physics 2025-06-27 Y. Yamasaki , N. Sasabe , Y. Ishii , Y. Sekiguchi , A. Sumiyoshiya , Y. Tanimoto , Y. Kotani , T. Nakamura , H. Nomura

The origin of x-ray magnetic circular dichroism (XMCD) at the Cu L2,3 edge in YBa2Cu3O7/La(1-x)Ca(x)MnO3 superlattices is revealed by performing first-principle electronic structure calculation using fully-relativistic spin-polarized linear…

Strongly Correlated Electrons · Physics 2009-11-24 Xiaoping Yang , A. N. Yaresko , V. N. Antonov , O. K. Andersen

The theoretical description of photoemission spectra of transition metals was greatly improved recently by accounting for the correlations between the d electrons within the local spin density approximation (LSDA) plus dynamical mean field…

Strongly Correlated Electrons · Physics 2013-03-22 O. Sipr , J. Minar , A. Scherz , H. Wende , H. Ebert

We have measured the X-ray absorption (XAS) and X-ray magnetic circular dichroism (XMCD) at the Mn L3,2 edges in ferromagnetic Ga1-xMnxP films for 0.018<x<0.042. Large XMCD asymmetries at the L3 edge indicate significant spin-polarization…

Hematite $\alpha$-Fe$_2$O$_3$ is a $g$-wave altermagnetic material, which has an easy-axis phase and easy-plane weak ferromagnetic phase below and above Morin transition temperature, respectively. The presence of these phases renders it a…

Materials Science · Physics 2025-12-15 Ruiwen Xie , Hamza Zerdoumi , Hongbin Zhang

X-ray free-electron lasers (XFELs) have been widely used for applications such as X-ray crystallography and magnetic spin probes because of their unprecedented performance. Recently, time-resolved X-ray magnetic circular dichroism (XMCD)…

Instrumentation and Detectors · Physics 2018-07-04 Bangjie Deng , Jiawei Yan , Qingmin Zhang , Yaodong Sang , Haixiao Deng

The element-specific technique of x-ray magnetic circular dichroism (XMCD) is used to directly determine the magnitude and character of the valence band orbital magnetic moments in (III,Mn)As ferromagnetic semiconductors. A distinct…

The first X-ray magnetic circular dichroism (XMCD) spectra on the title compounds are presented. In Mn12 the Mn(III) and Mn(IV) contributions are clearly apparent and evidence the opposite spin arrangement of the two ions. For Fe8 the…

A 3-fold symmetric kagome lattice that has negative spin chirality can give a non-zero x-ray magnetic circular dichroism (XMCD) signal, despite that the total spin moment amounts to zero. This is explained by a hitherto unnoticed rule for…

Materials Science · Physics 2021-11-16 Gerrit van der Laan

Photoelectron diffraction (PED) is a powerful and essential experimental technique for resolving the structure of surfaces with sub-angstrom resolution. In the high energy regime, researchers in angle-resolved photoemission spectroscopy…

Recent developments in the multipole reformulation of X-ray absorption spectroscopy (XAS) have provided a unified framework to describe magnetic and orbital responses in terms of ferroic multipole order parameters. X-ray magnetic circular…

Materials Science · Physics 2026-03-11 N. Sasabe , H. Koizumi , Y. Ishii , Y. Yamasaki

We have measured the X-ray absorption (XAS) and X-ray magnetic circular dichroism (XMCD)at the Mn L3,2 edges in ferromagnetic Ga1-xMnxP for 0.018<x<0.042. Large XMCD asymmetries at the L3 edge indicate significant spin-polarization of the…

The magneto-optical Kerr effect (MOKE) has recently been discovered in antiferromagnetic Kagome lattice Mn3Sn. Since the compound exhibits a coplanar $120^\circ$ antiferromagnetic (AFM) order, the magnetic moments cancel each other, and the…

Strongly Correlated Electrons · Physics 2020-08-26 Yuichi Yamasaki , Hironori Nakao , Taka-hisa Arima