First-principles studies of complex magnetism in Mn nanostructures on the Fe(001) surface

Abstract

The magnetic properties of Mn nanostructures on the Fe(001) surface have been studied using the noncollinear first-principles real space-linear muffin-tin orbital-atomic sphere approximation method within density-functional theory. We have considered a variety of nanostructures such as adsorbed wires, pyramids, and flat and intermixed clusters of sizes varying from two to nine atoms. Our calculations of interatomic exchange interactions reveal the long-range nature of exchange interactions between Mn-Mn and Mn-Fe atoms. We have found that the strong dependence of these interactions on the local environment, the magnetic frustration, and the effect of spin-orbit coupling lead to the possibility of realizing complex noncollinear magnetic structures such as helical spin spiral and half-skyrmion.

Incident-energy-dependent spectral weight of resonant inelastic x-ray scattering in doped cuprates

“…In RIXS, tuning polarization of incident and outgoing photons, we can separate excitation with the change of total spin by one (∆S = 1) and excitation with no change of total spin (∆S = 0) [8][9][10][11]. We call the former (the latter) spin-flip (non-spin-flip) process hereafter.…”

A high-energy-resolution resonant inelastic X-ray scattering spectrometer at ID20 of the European Synchrotron Radiation Facility

“…RIXS is a photon-in-photon-out technique for the study of the electronic structure of materials as it probes transitions involving lattice, charge, spin and/or orbital degrees of freedom (Kotani & Shin, 2001;Ament et al, 2011a). In the specific case of low-energy elementary excitations, recent advances in the instrumentation, both in the soft (Ghiringhelli et al, 2006(Ghiringhelli et al, , 2012 and hard X-ray regimes (Shvyd'ko et al, 2013;Ishii et al, 2013;Moretti Sala et al, 2013) and in the theoretical interpretation of RIXS spectra (Haverkort, 2010;Ament et al, 2011b,c;Igarashi & Nagao, 2012;Marra et al, 2012Marra et al, , 2013Marra et al, , 2016van den Brink & Veenendaal, 2012;Jia et al, 2014Jia et al, , 2016Moretti Sala et al, 2014a;Kim & van den Brink, 2015;Devereaux et al, 2016) boosted the technique enormously. The most prominent example is the study of magnetic excitations in Cu Guarise et al, 2010;Le Tacon et al, 2011;Ghiringhelli & Braicovich, 2013;Dean et al, 2012Dean et al, , 2013aDean et al, ,b, 2014Ishii et al, 2014;Guarise et al, 2014;Lee et al, 2014;Peng et al, 2015;Moser et al, 2015;Monney et al, 2016;Meyers et al, 2017) and Ir (Kim et al, 2012a,b;Moretti Sala et al, 2014bDonnerer et al, 2016;Gretarsson et al, 2016;…”

Theoretical Study of L-Edge Resonant Inelastic X-ray Scattering in La2CuO4 on the Basis of Detailed Electronic Band Structure

“…Intensive theoretical studies have been performed so far to analyze the L-edge RIXS in strongly correlated transition-metal compounds. 9,[19][20][21][22][23] In most of precedent studies, simplified effective models such as impurity Anderson models, finite-size cluster models, or Heisenberg models have been adopted to describe the electronic structure or the magnetic ground state, and the energy window and the number of momentum points allowed for calculation are inevitably restricted. Heisenberg antiferromagnetic superexchange couplings are often treated as tunable parameters to fit to experimental data, and microscopic quantitative grounds for the values of coupling parameters are lacking.…”