X-Ray Magnetic Circular Dichroism at the K edge of Mn3GaC

We theoretically investigate the origin of the x-ray magnetic circular dichroism (XMCD) spectra at the K edges of Mn and Ga in the ferromagnetic phase of Mn3GaC on the basis of an ab initio calculation. Taking account of the spin-orbit interaction in the LDA scheme, we obtain the XMCD spectra in excellent agreement with the recent experiment. We have analyzed the origin of each structure, and thus elucidated the mechanism of inducing the orbital polarization in the p symmetric states. We also discuss a simple sum rule connecting the XMCD spectra with the orbital moment in the p symmetric states.Comment: 5 pages, 5 figures, accepted for publication in Physical Review

Magnetic circular dichroism of x-ray absorption spectroscopy at rare-earth L2,3 edges in RE2Fe14B compounds (RE = La, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, Yb, and Lu)

Magnetic circular dichroism (MCD) in the x-ray absorption spectroscopy (XAS) at the L2,3 edges for almost entire series of rare-earth (RE) elements in RE2Fe14B, is studied experimentally and theoretically. By a quantitative comparison of the complicated MCD spectral shapes, we find that (i) the 4f-5d intra-atomic exchange interaction not only induces the spin and orbital polarization of the 5d states, which is vital for the MCD spectra of the electric dipole transition from the 2p core states to the empty 5d conduction band, but also it accompanies a contraction of the radial part of the 5d wave function depending on its spin and orbital state, which results in the enhancement of the 2p-5d dipole matrix element, (ii) there are cases where the spin polarization of the 5d states due to the hybridization with the spin polarized 3d states of surrounding irons plays important roles, and (iii) the electric quadrupole transition from the 2p core states to the magnetic vale! nce 4f states is appreciable at the pre-edge region of the dipole spectrum. Especially, our results evidence that it is important to include the enhancement effect of the dipole matrix element in the correct interpretation of the MCD spectra at the RE L2,3 edges.Comment: 9 pages, 5 figures, 1 table, REVTe

Role of the exchange and correlation potential into calculating the x-ray absorption spectra of half-metallic alloys: the case of Mn and Cu K-edge XANES in Cu2_2MnM (M = Al, Sn, In) Heusler alloys

This work reports a theoretical study of the x-ray absorption near-edge structure spectra at both the Cu and the Mn K-edge in several Cu$_2$MnM (M= Al, Sn and In) Heusler alloys. Our results show that {\it ab-initio} single-channel multiple-scattering calculations are able of reproducing the experimental spectra. Moreover, an extensive discussion is presented concerning the role of the final state potential needed to reproduce the experimental data of these half-metallic alloys. In particular, the effects of the cluster-size and of the exchange and correlation potential needed in reproducing all the experimental XANES features are discussed.Comment: 15 pages, 5 figure

X-ray magnetic circular dichroism measurements using an X-ray phase retarder on the BM25 A-SpLine beamline at the ESRF

6 páginas, 8 figuras.Circularly polarized X-rays produced by a diamond X-ray phase retarder of thickness 0.5 mm in the Laue transmission configuration have been used for recording X-ray magnetic circular dichroism (XMCD) on the bending-magnet beamline BM25A (SpLine) at the ESRF. Field reversal and helicity reversal techniques have been used to carry out the measurements. The performance of the experimental set-up has been demonstrated by recording XMCD in the energy range from 7 to 11 keV.This work was partially supported by a Spanish CICYTMAT2008- 06542-C04 grant. MALM and RB acknowledge the Ministerio de Ciencia e Innovación of Spain for their Postdoctoral and PhD grants, respectively. We also acknowledge the Spanish Ministerio de Ciencia e Innovación and Consejo Superior de Investigaciones Científicas for financial support.Peer reviewe

Induced ferromagnetism in Mn3N2 phase embedded in Mn/Si3N4 multilayers

Room temperature ferromagnetism has been obtained for different sets of Mn/Si3N4 multilayers prepared by sputtering. In order to find the most suitable conditions to stabilize the ferromagnetic ordering in this system, the evolution of the magnetic properties has been studied for films in which the Si3N4 layer thickness was maintained constant while that of the Mn layer was varied, Mn tm/Si3N4 3.4 nm n, and conversely, in Mn 0.7 nm/Si3N4 tsn 43 samples, in which the Mn layer thickness was kept constant while varying the Si3N4 layer thickness. Structural, compositional, electronic and magnetic characterizations have been performed by means of x-ray reflectometry, Rutherford backscattering spectrometry, x-ray photoemission spectroscopy, x-ray absorption, and superconducting quantum interference device for further knowledge of the magnetic-structural relationship in this system. Our results show that the peculiar magnetic behavior of these films is mainly related to the stabilization of a slightly distorted Mn3N2 phase that is induced by the Si3N4 at the interfaces. For samples with larger Mn layer thickness, metallic Mn and Mn3N2 phases coexist, which leads to a reduction of the total magnetization per Mn atom due to the presence of metallic Mn. For small Mn layer thickness tm 0.86 nm, where noncontinuous Mn3N2 layers are formed, the magnetization decreases noticeably due to the superparamagnetic size limit. It has been found that the best conditions for the stabilization of the ferromagnetism in this system occur when both, the manganese-rich and the silicon nitride layers, are continuous and with similar thickness, close to 3.5 nm.Ministerio de Educación y Ciencia de España-MAT2006-01004, MAT2008-06542-C04-01, MAT2008-06765-C02-02, S-0505/MAT/0194, Consolider 2010_26400 y Nanoselect CSD2007-0004

Microstructural and magnetic characterization of Fe- and Ir-based multilayers

Nominal [Fe(t)/Ir(t'')](n) (M/Mtype), [FeOx(t)/IrOx(t'')](n) (O/O), and [Fe(t)/IrOx(t'')](n) (M/O) multilayers have been prepared by magnetron sputtering at room temperature. Composition, structure, and magnetic behavior have been analyzed. In the M/M samples, the Fe and Ir phases are identified as bcc and fcc, respectively. The magnetism evolves from bulklike iron to granular behavior as the thickness of the Fe layers decreases. An induced magnetic moment, ferromagnetically coupled to Fe, is observed on Ir by x-ray magnetic circular dichroism (XMCD). Besides, the presence of negative remanent magnetization is observed in the M/M samples. As for the M/O samples, the stronger affinity of iron for oxygen displaces the oxygen atoms giving rise to actual heterostructures that strongly differ from the nominal ones. For similar thickness of the two layers the Fe layer become oxidized while a mixture of metal and oxide phases is found in the Ir layer. The increase of the Fe thickness leads to a metallic Ir layer and a highly coercive (similar to 4.4 kOe) core-shell metal-oxide structure in the Fe layers

Microstructural and magnetic characterization of Fe- and Ir-based multilayers

Nominal [Fe(t)/Ir(t′)]n (M/M type), [FeOx(t)/IrOx(t′)]n (O/O), and [Fe(t)/IrOx(t′)]n (M/O) multilayers have been prepared by magnetron sputtering at room temperature. Composition, structure, and magnetic behavior have been analyzed. In the M/M samples, the Fe and Ir phases are identified as bcc and fcc, respectively. The magnetism evolves from bulklike iron to granular behavior as the thickness of the Fe layers decreases. An induced magnetic moment, ferromagnetically coupled to Fe, is observed on Ir by x-ray magnetic circular dichroism (XMCD). Besides, the presence of negative remanent magnetization is observed in the M/M samples. As for the M/O samples, the stronger affinity of iron for oxygen displaces the oxygen atoms giving rise to actual heterostructures that strongly differ from the nominal ones. For similar thickness of the two layers the Fe layer become oxidized while a mixture of metal and oxide phases is found in the Ir layer. The increase of the Fe thickness leads to a metallic Ir layer and a highly coercive (∼4.4 kOe) core-shell metal-oxide structure in the Fe layers.Spanish Ministry of Economy and Competitiveness (MINECO), MAT2014-54425-R, MAT2017-83468-RAragón DGA NETOSHIM

Double-channel excitation in the XAS spectra of divalent and trivalent iron complexes in water solution.

We present a detailed analysis of XAS spectra of divalent and trivalent iron complexes in water solutions. The interpretation of the spectra has been provided by multi-channel multiple scattering approach. On this basis, good agreement between experimental data and theoretical calculations has been obtained in both cases including two excitation channels in the final state

XANES and EXAFS study of the local order in nanocrystalline yttria-stabilized zirconia

The local order around Zr and Y atoms of nanocrystalline yttria-stabilized zirconia (YSZ) powders with different grain sizes has been investigated by x-ray absorption spectroscopies. The samples were prepared by means of mechanical alloying with or without subsequent sintering treatment and also by milling commercial YSZ. Our study is motivated by the interest in the electrical properties of grain boundaries and the controversy about the level of disorder in the intergrain regions in nanocrystalline YSZ. The x-ray absorption near edge structure (XANES) analysis indicates that the local order of all the sintered samples is independent of the grain size. This is confirmed by the analysis of the extended x-ray absorption fine structure, which points out also that, in contrast to that found in sintered samples, the local order around the cation in the samples milled without further sintering treatment extends only to the first coordination shell. Finally, the results of ab initio Zr K-edge XANES calculations lead us to conclude that the observed changes of the shape of the white line are not related to a phase transformation but reflects the short-range order present in the as-milled samples

Dynamics of AC susceptibility and coercivity behavior in nanocrystalline TbAl1.5 Fe0.5 alloys

The static and dynamic magnetic macroscopic properties of bulk and nanocrystalline TbAl1.5Fe0.5 alloys have been investigated. In bulk state, this alloy is understood as a reentrant ferromagnet. This is characterized by a ferromagnetic Curie transition at 114 K, as deduced from magnetization including Arrott plots, higher than that of TbAl2. The reentrance is found at lower temperatures, below 66 K, with a cluster glass behavior setting in, deduced from the magnetization irreversibility. This is accompanied by an abrupt increase in the coercivity from 0.08 kOe to 15 kOe at 5 K, with respect to the TbAl2 alloy. Room temperature Mössbauer spectroscopy confirms the paramagnetic state of such a bulk alloy. The spin dynamics within the disordered magnetic state is described by the AC-susceptibility which shows a Vogel–Fulcher law for the slowing down process. This is caused by a random anisotropy affecting the existing clusters. The production of milled TbAl1.5Fe0.5 alloys enhances the presence of magnetic disorder and results in the particle downsizing toward the nanocrystalline state (close to 10 nm). In this case, two frequency-dependent contributions exist, with different activation energies, one of them cannot be described by ideal spin glass nor blocking/unblocking (nanoparticle) processes. In addition, the coercivity reduces to 1 kOe with the decrease in the size as a consequence of the existence of single domain particles. The results are explained by the intricate interplay between exchange interactions and magnetocrystalline anisotropy with disorder and size effects. © 2012 Elsevier B.V.This work has been supported by the MAT2008-06542-C04 and MAT2011-27573-C04 projects.Peer Reviewe