Crystal and magnetic structures of Cr1/3NbSe2 from neutron diffraction

Under a Creative Commons Attribution (CC BY) license.-- et al.Neutron diffraction measurements of the Cr intercalated niobium diselenide CrNbSe together with magnetization measurements have revealed that this compound exhibits ferromagnetic ordering below T = 96 K unlike a chiral helimagnetic order observed in the sulfide compound CrNbS. As derived from neutron diffraction data, the Cr magnetic moments μ = 2.83 ± 0.03 μ in CrNbSe are aligned within basal plane. The discrepancy in the magnetic states of CrNbS and CrNbSe is ascribed to the difference in the preferential site occupation of Cr ions in crystal lattices. In CrNbSe, the Cr ions are predominantly distributed over 2b Wyckoff site, which determines a centrosymmetric character of the crystal structure unlike CrNbS, where the Cr ions are mainly located in 2c position and the crystal structure is non-centrosymmetric.This work is partly based on experiments performed at the Japan Proton Accelerator Research Complex J-PARC. This work was performed within the state assignment of the FASO of Russia (No. 01201463334) and supported by Act 211 Government of the Russian Federation (Contract No. 02.A03.21.0006), by the Russian Foundation for Basic Research (Project Nos. 13-02-00364 and 13-02-92104), by the program of UB of RAS (Project No. 15-17-2-22), and by Grants-in-Aid for Scientific Research (Nos. 25220803, 242440590, and 25246006) from the Ministry of Education, Culture, Sports, Science and Technology (MEXT), Japan. This work was also supported by the Center for Chiral Science in Hiroshima University (the MEXT program for promoting the enhancement of research universities, Japan) and JSPS Core-to-Core Program, A. Advanced Research Networks. J.C. and Y.K. acknowledge the Grant No. MAT2011-27233-C02-02.Peer Reviewe

Pseudobinary Fe4Ti3S8 compound with a NiAs-type structure: Effect of Ti for Fe substitution

The transition metal sulfide Fe4Ti3S8 with 7:8 composition has been synthesized and studied by using X-ray diffraction, magnetization and electrical resistivity measurements. This compound exhibits a monoclinic crystal lattice (space group I12/m1). The substitution of Ti for Fe in Fe7S8 is found to result in a lowering of the Curie temperature (TC ≈ 205 K), in a larger value of the coercive field (Hc ∼ 9 kOe at low temperatures) and in a substantial growth of the resultant magnetic moment per formula unit (μFU) in comparison with Fe7S8. An enhanced value of μFU is attributed to the preferential substitution of Ti in alternating cation layers. From the paramagnetic susceptibility measured within temperature interval (250-350) K, a reduced value of the effective moment per iron (μFe ∼ 2.4μB) was determined. The electrical resistivity of Fe4Ti3S8 shows a non-metallic behavior and is affected by magnetic ordering. © 2013 Elsevier Masson SAS. All rights reserved

Dimerization and low-dimensional magnetism in nanocrystalline TiO2 semiconductors doped by Fe and Co

The report is devoted to an analysis of the structural and magnetic state of the nanocrystalline diluted magnetic semiconductors based on TiO2 doped with Fe and Co atoms. Structural and magnetic characterization of samples was carried out using X-ray diffraction (XRD) analysis, transmission electron microscopy (TEM), X-ray absorption spectroscopy (XAS), electron paramagnetic resonance (EPR) spectroscopy, SQUID magnetometry, and the density functional theory (DFT) calculations. Analysis of the experimental data suggests the presence of non-interacting paramagnetic Fe3+ and Co2+ ions in the high-spin state and negative exchange interactions between them. The important conclusions is that the distribution of dopants in the TiO2 matrix, even at low concentrations of 3d-metal dopant (less than one percent), is not random, but the 3d ions localization and dimerization is observed both on the surface and in the nanoparticles core. Thus, in the paper the quantum mechanical model for describing the magnetic properties of TiO2:(Fe, Co) was suggested. The model operates only with two parameters: paramagnetic contribution of non-interacting 3d-ions and dimers having different exchange interactions between 3d magnetic carriers. © Published under licence by IOP Publishing Ltd

Critical behavior study of magnetic transitions in Dy3Co single crystals

An ac photopyroelectric calorimeter has been used to study the critical behaviour of the magnetic transitions in Dy3Co measuring thermal diffusivity, specific heat and thermal conductivity, at low temperature. There are two phase transitions, both of which present singularities in the three variables. The antiferromagnetic to paramagnetic phase transition at 42 K complies with the short range, isotropic universality class, 3D-Heisenberg (alfaexp = -0.133 for specific heat, bexp = -0.145 for thermal diffusivity, alfatheor = btheor = -0.13). In the case of the lower transition where there is a rearrangement of the antiferromagnetic spin ordering at 32 K the critical behavior shows a deviation from isotropy. These results are linked to magnetic measurements already found in literature.This work has been supported by Universidad del País Vasco/Euskal Herriko Unibertsitatea (UPV/EHU-GIU16/93) and also partially supported by FASO of Russia (themes No 01201463328 and 01201463334)

Unconventional magnetism of non-uniform distribution of Co in TiO2 nanoparticles

High-resolution transmission electron microscopy (HRTEM), X-ray diffraction (XRD) analysis, electron paramagnetic resonance (EPR), X-ray absorption spectroscopy (XAS), magnetic methods, and density-functional theory (DFT) calculations were applied for the investigations of Co-doped anatase TiO2 nanoparticles (∼20 nm). It was found that high-spin Co2+ ions prefer to occupy the interstitial positions in the TiO2 lattice which are the most energetically favourable in compare to the substitutional those. A quantum mechanical model which operates mainly on two types of Co2+ – Co2+ dimers with different negative exchange interactions and the non-interacting paramagnetic Co2+ ions provides a satisfactorily description of magnetic properties for the TiO2:Co system. © 2020 Elsevier B.V.Russian Foundation for Basic Research. Ministry of Science and Higher Education of the Russian Federatio

Peculiar magnetocaloric properties and critical behavior in antiferromagnetic Tb3Ni with complex magnetic structure

A study on the magnetocaloric properties of a Tb3Ni single crystal (which crystallizes in the orthorhombic Pnma space group) has been undertaken and combined with the study of the character and critical behavior of its magnetic transitions. It presents two important magnetocaloric effects in the temperature range 3–90 K due to the richness and variety of its temperature and magnetic field induced phase transitions. There is a conventional (direct) magnetocaloric effect with a maximum at 65 K and very competitive properties:  = 16.6 J/kgK, RCFWHM = 432 J/kg, with a 50 K span, for μ0ΔH = 5 T, which is due to the transition from a magnetically ordered state to the paramagnetic (PM) state with a combined antiferromagnetic to ferromagnetic (AFM-FM) metamagnetic transition. Besides, it also presents an inverse magnetocaloric effect at very low temperature for which the presence of metamagnetic transitions between AFM and FM states is responsible (=19.9 J/kgK, RCFWHM = 245 J/kg, with a 15 K span, for μ0ΔH = 5 T). At low field (<2 T), the character of the AFM-PM transition which takes place at ≈ 61 K has been well established to be second order and governed by short range order interactions, as the critical parameters α, A+/A- obtained from the specific heat at μ0H = 0 T point to the 3D-Heisenberg universality class. Conversely, the metamagnetic transitions between AFM and FM states, which appear for magnetic fields higher than 2 T, have a first order character, as proved by the magnetization behavior as a function of field and temperature. These properties make this material extremely interesting for magnetic refrigeration applications in the gas liquefaction range 4–77 K.This work has been supported by Universidad del País Vasco UPV/EHU (GIU16/93). A. Herrero thanks the Department of Education of the Basque Government as grantee of the programme “Programa Predoctoral de Formación de Personal Investigador No Doctor”. The authors thank for technical and human support provided by SGIker of UPV/EHU. This work was also supported by Russian Science Foundation (project No. 18-72-10022)

Comprehensive study of the magnetic phase transitions in Tb3Co combining thermal, magnetic and neutron diffraction measurements

A comprehensive study of the magnetic phase transitions in Tb3Co has been undertaken combining different techniques. Using single crystal neutron diffraction in the paramagnetic state a weak crystal structure distortion from the room temperature orthorhombic structure of the Fe3C type described with the Pnma space group toward structure with lower symmetry has been observed with cooling below 100 K. At 81 K there is a second order phase transition to an antiferromagnetic incommensurate phase with the propagation vector k = (0.155, 0, 0). As derived from thermal diffusivity measurements, the critical exponents for this transition are very close to the 3D-Heisenberg universality class, proving that the magnetic interactions are short-range but with a deviation from perfect isotropy due to crystal field effects. At T2 ≈ 70 K there is another magnetic phase transition to a ferromagnetic state whose character is shown to be weakly first order. The low temperature magnetic state has a non-coplanar ferromagnetic structure with strong ferromagnetic components of Tb magnetic moments along the crystallographic c-axis. The application of an external magnetic field B = 2 T along the c crystallographic axis suppresses the incommensurate antiferromagnetic phase and gives rise to the ferromagnetic phase. The magnetic entropy peak change as well as the refrigerant capacity indicate that Tb3Co is a competitive magnetocaloric material in this temperature range. © 2019 Elsevier Lt

Substitution Effects on the Magnetic Properties of Fe-Containing Chalcogenides with NiAs-Type Structures

The changes in the magnetization processes caused by Se for S substitutions in the layered chalcogenide compounds Fe_{x}TiS_{2-y}Se_{y} (x=0.5, 0.66) with antiferromagnetic (AF) and ferrimagnetic (FI) orderings, respectively, have been studied by using the magnetization and magnetoresistance measurements. Unusually high values of the coercive fields (H_{c} up to 56 kOe) have been observed at low temperatures in Fe_{0.5}TiS_{2-y}Se_{y} with the Se content y<0.5, which is ascribed to the presence of an unquenched orbital moment on Fe ions and to the formation of a magnetically heterogeneous state in the vicinity of H_{c}. The Se for S substitution in Fe_{0.66}TiS_{2-y}Se_{y} leads to the transition from the FI to AF state and to non-monotonous change of H_{c} with a maximal value 22 kOe an y=0.5. The changes in the magnetic state of Fe_{x}TiS_{2-y}Se_{y} are suggested to be strongly affected by the distribution of Fe ions and vacancies in cationic layers

MAGNETIC AND MAGNETOTHERMAL PROPERTIES OF QUASIBINAR INTERMETALLIDES (Lu,Gd)5Pd2

In the present work we measured the specific heat and estimated the lattice, electron, and magnetic contributions to the heat capacity of 3.08 1.89 1.94 Lu Gd Pd and 4.85 2 Lu Pd polycrystalline samples. We calculated the magnetic entropy for the sample. It was found that the magnetic entropy calculated from the experimental data exceeds the theoretical maximum for the compound