Ferromagnetism in Rh-doped SnO<Subscript>2</Subscript> from first-principles calculation

The electronic structures and magnetic properties for Rh-doped SnO₂ crystals have been investigated by density functional theory. The results demonstrate a magnetic moment, which mainly arises from d orbital of Rhodium, of 1.0 μ _B per Rhodium with a little contribution from the Oxygen atoms surrounding it. The Rh-doped SnO₂ system exhibits half-metallic ferromagnetism with high Curie temperature. Several doped configurations calculations show that there are some robust ferromagnetic couplings between these local magnetic moments. The p–d hybridization mechanism is responsible for the predicted ferromagnetism. These results suggest a recipe obtaining promising dilute magnetic semiconductor by doping nonmagnetic elements in SnO₂ matrix.     

Structural and magnetic properties of size-controlled Mn<Subscript>0.5</Subscript>Zn<Subscript>0.5</Subscript>Fe<Subscript>2</Subscript>O<Subscript>4</Subscript> nanoparticles and magnetic fluids

Mn_0.5Zn_0.5Fe₂O₄ ferrite nanoparticles with tunable Curie temperature and saturation magnetization are synthesized using hydrothermal co-precipitation method. Particle size is controlled in the range of 54 to 135 Å by pH and incubation time of the reaction. All the particles exhibit super-paramagnetic behaviour at room temperature. Langevin’s theory incorporating the interparticle interaction was used to fit the virgin curve of particle magnetization. The low-temperature magnetization follows Bloch spin wave theory. Curie temperature derived from magnetic thermogravimetric analysis shows that Curie temperature increases with increasing particle size. Using these particles magnetic fluid is synthesized and magnetic characterization is reported. The monolayer coating of surfactant on particle surface is confirmed using thermogravimetric measurement. The same technique can be extended to study the magnetic phase transition. The Curie temperature derived using this measurement complies with the low-temperature magnetic measurement. The room-temperature and high-temperature magnetization measurements are also studied for magnetic fluid systems. The magnetic parameters derived for fluid are in good agreement with those obtained for the particle system.     

Pressure effect of magnetic and electronic properties of Mn2PtGa Heusler alloy

First-principles calculations are performed to investigate pressure effects on structure, magnetism, martensitic phase transition and Curie temperatures of Mn₂PtGa Heusler alloy in framework of the density functional theory. It is shown that Mn₂PtGa prefer to crystallize in the inverse Heusler type structure. Besides, we predict an extraordinary occurrence of pressure induced metallic ferrimagnetism to half-metallic ferromagnetism transition in cubic phase of Mn₂PtGa alloy under hydrostatic pressure up to 43 GPa and the half-metallic ferromagnetism is found to be robust even the lattice further compression to 90 GPa. However, with the pressure up to 100 GPa, the spin-down gap starts to close and the half metallicity begin to disappear, while with the pressure increasing from 100 GPa to 300 GPa, the alloy returns to metallic characteristic. In addition, the energy difference between the austenitic and martensitic phases is found to increase with increasing pressure followed by a decrease when pressure reaches to 43 GPa, which implies a variation trend of martensitic phase transition temperature. Furthermore, Curie temperatures in both austenitic and martensitic phases are estimated under pressure by using the standard mean-field approximation which agrees well with the theoretical results in literature. The robustness of the half metallicity, magnetic transition and the high Curie temperature under pressure make Mn₂PtGa alloy a promising candidate for applications in spintronic devices.     

Structural and magnetic ordering of CrNb<Subscript>3</Subscript>S<Subscript>6</Subscript> single crystals grown by gas transport method

Paramagnetic layered semiconductor NbS₂ doped with some transition metals can transform into ferromagnetic material. That is why such materials are promising candidates for spintronic devices. It is found that only at certain concentrations of a doping metal T crystallographic ordering is possible, which is essential for magnetic ordering of ternary compounds TNbS₂. In particular, CrNb3S6 crystals are studied, which form almost completely ordered superstructure with intercalated Cr between NbS₂ layers. The main difficulty in crystal growth is reaching stoichiometry of the compound. This problem is solved in the developed method of two-staged gas transport chemical reaction. This new approach provides growth of CrNb₃S₆ single crystals of several millimeters in diameter and 0.3–0.5 mm thickness. X-ray phase analysis (XRD) of powders is performed to identify all phases involved in synthesis and growth of the crystals. High frequency absorption in external periodic magnetic field as a function of temperature and intensity of magnetic field is used to estimate the temperature of ferromagnetic transition in CrNb₃S₆ single crystals. The Curie temperature is estimated as 115 K. Growth of CrNb₃S₆ crystals from vapor phase is studied in detail and full analysis of phase transitions during growth is given. It has been shown that using of high frequency absorption in the crystal provides reliable estimation of the point of ferromagnetic transition in this semiconductor. The authors are grateful to the Physical Science Department of Russian Academy of Sciences for financial support of the studies in the frameworks of the program “Physics of new materials and structures” (project no. 00-12-10).     

Magnetorefractive effect in La<Subscript>0.7</Subscript>Ca<Subscript>0.3</Subscript>MnO<Subscript>3</Subscript> in the infrared spectral range

The reflection and magnetic reflection spectra, magnetic resistance, electrical properties, and equatorial Kerr effect in La_0.7Ca_0.3MnO₃ crystals have been complexly investigated. The measurements have been performed in wide temperature and spectral ranges in magnetic fields up to 3.5 kOe. It has been found that magnetic reflection is a high-frequency response in the infrared spectral range to the colossal magnetore-sistance near the Curie temperature. Correlation between the field and temperature dependences of the magnetic reflection and colossal magnetoresistance has been revealed. The previously developed theory of the magnetorefractive effect for metallic systems makes it possible to explain the experimental data at the qualitative level. Both demerits of the theory of the magnetorefractive effect in application to the magnets and possible additional mechanisms responsible for the magnetic reflection are discussed.     

Role of electrodes materials in determining the interfacial and magnetoelectric properties in BaTiO<Subscript>3</Subscript>-based multiferroic tunnel junctions

Using the first-principles calculations based on density functional theory, the important role of electrode materials in determining the interfacial, ferroelectric stability and magnetoelectric properties in BaTiO₃-based multiferroic tunnel junctions (MFTJs) have been investigated comparatively. It is found that the SrO–TiO₂ interface of MFTJs with oxide electrode SrRuO₃ is the most favorable interfacial structure. The average ferroelectric polarizations of MFTJs with electrode Co, FeCo and SrRuO₃ are 25, 36 and 0 μC/cm², respectively. The using of alloy electrode FeCo is more contributed to ferroelectric stability and the enhancement of magnetoelectric coupling of BaTiO₃-based MFTJs. We expect our findings can provide an essential evaluation for the selection of electrode materials in spintronic storage devices.     

Magnetic properties of an easy-plane trigonal NdFe<Subscript>3</Subscript>(BO<Subscript>3</Subscript>)<Subscript>4</Subscript> antiferromagnet

The field and temperature dependences of magnetization and the temperature dependences of the initial magnetic susceptibility have been theoretically studied for three crystallographic directions in a trigonal NdFe₃(BO₃)₄ antiferromagnetic crystal. The calculations were performed using a molecular field approximation and a crystal field model for the rare-earth subsystem. The obtained theoretical expressions are applied to the interpretation of recent experimental data [1–4] on the magnetic properties of NdFe₃(BO₃)₄. The results of calculations show a good agreement with experiment. The proposed theory adequately describes (i) anomalies of the Schottky type in the temperature dependence of the magnetic susceptibility, (ii) nonlinear curves of magnetization in the basal plane in a magnetic field up to 1 T (showing evidence of the first-order phase transitions) and their evolution with the temperature, and (iii) the field and temperature dependences of magnetization in a magnetic field up to 9 T.     

Exotic ferromagnetism in the two-dimensional quantum material C<Subscript>3</Subscript>N

The search for and study of exotic quantum states in novel low-dimensional quantum materials have triggered extensive research in recent years. Here, we systematically study the electronic and magnetic structures in the newly discovered two-dimensional quantum material C₃N within the framework of density functional theory. The calculations demonstrate that C₃N is an indirect-band semiconductor with an energy gap of 0.38 eV, which is in good agreement with experimental observations. Interestingly, we find van Hove singularities located at energies near the Fermi level, which is half that of graphene. Thus, the Fermi energy easily approaches that of the singularities, driving the system to ferromagnetism, under charge carrier injection, such as electric field gating or hydrogen doping. These findings not only demonstrate that the emergence of magnetism stems from the itinerant electron mechanism rather than the effects of local magnetic impurities, but also open a new avenue to designing field-effect transistor devices for possible realization of an insulator–ferromagnet transition by tuning an external electric field.     

Magnetic and electrical investigations of Fe<Subscript>85-x</Subscript>Co<Subscript>x</Subscript>B<Subscript>15</Subscript> metallic glasses

The magnetic and electrical properties of metallic glasses with the general formula Fe_85-xCo_xB₁₅ were investigated over a large temperature range to study their concentration-dependent physical parameters. All of the samples investigated (x=17,21,30, and 40) were soft ferromagnets with coercive fields H_c1 Oe and high Curie temperatures slightly above 1200 K. The temperature-dependent magnetization behaved irregularly, and exhibited hysteresis during heating and subsequent cooling through the Curie temperature. The variation of the magnetization with temperature demonstrates that one or more phase transformations (crystallization) occurred in the course of the heating. The electrical resistivities exhibited positive temperature coefficients and minima at temperatures below 50 K. We did not observe a nonmonotonic variation of the magnetic and electrical properties with a monotonic change of the Fe_85-xCo_xB₁₅ composition that would correlate with the earlier proposed formation of strong nanoclusters in the vicinity of particular stoichiometrically close Fe:Co ratios. The good soft magnetic characteristics make the Fe_85-xCo_xB₁₅ metal glasses promising candidates for engineering materials in inductive applications. PACS 71.23.Cq; 75.75.+a     

Sm<Subscript>0.55</Subscript>Sr<Subscript>0.45</Subscript>MnO<Subscript>3</Subscript>/Nd<Subscript>0.55</Subscript>Sr<Subscript>0.45</Subscript> MnO<Subscript>3</Subscript> heteroepitaxial structure: Optical and magnetotransport properties

Sm_0.55Sr_0.45MnO₃/Nd_0.55Sr_0.45MnO₃ heterostructure consisting of layers with different Curie temperatures is studied. By comparing data for IR transmission, resistivity, magnetotransmission, magnetoresistance, and Kerr effect measured on the side of the film and substrate, the Curie temperatures of the layers are determined and the contributions of the layers to the magnetoresistance and magnetotransmission are estimated. A weak temperature dependence of the magnetotransmission and magnetoresistance makes manganites with a colossal magnetoresistance and magnetotransmission candidate materials for devices without temperature stabilization.     

Electronic structure and half-metallic property of Si<Subscript>3</Subscript>CaC<Subscript>4</Subscript>

The electronic structures and magnetic properties of Si₃CaC₄ in zinc-blende phase has been studied by employing the first-principles method based on density functional theory (DFT). The calculations predict stable ferromagnetic ground state in Si₃CaC₄, resulting from calcium substitution for silicon. The calculated total magnetic moment is 2.00 μ _B per supercell, which mainly arises from the Ca and neighboring C atoms. Band structures and density of states studies show half-metallic (HM) ferromagnetic property for Si₃CaC₄. The ferromagnetic coupling is generally observed between the Ca and C atoms. The ferromagnetism of Si₃CaC₄ can be explained by the hole-mediated double exchange mechanism. The sensitivity of half-metallicity of Si₃CaC₄ as a function of lattice constant is also discussed, and the half-metallicity can be kept in a wider lattice constant range.     

Effect of trivalent rare earth doping on magnetic and magnetocaloric properties of Pr<Subscript>0.5</Subscript>(Ce,Eu,Y)<Subscript>0.1</Subscript>Sr<Subscript>0.4</Subscript>MnO<Subscript>3</Subscript> manganites

Experimental studies of the structural, magnetic and magnetocaloric properties of the three compounds Pr_0.5X_0.1Sr_0.4MnO₃ (X = Ce, Eu and Y) are reported. Our samples were synthesized using the Pechini sol–gel method. X-ray powder diffraction at room temperature indicates that our materials crystallize in the orthorhombic structure with Pbnm space group. The compounds undergo a second-order magnetic transition from paramagnetic to ferromagnetic state around their own Curie temperatures T _C ~ 310, 270 and 230 K for X = Ce, Eu and Y, respectively. A considerable magnetocaloric effect (MCE) is observed around room temperature. The maximum values of magnetic entropy change ?S _max are 3.54, 3.81 and 2.99 J/kgK for the samples with X = Ce, Eu and Y, respectively, when a magnetic field of 5 T was applied. The relative cooling power (RCP) values for the corresponding materials are 246.60, 261.66 and 298 J/kg. It is shown that for Pr_0.5X_0.1Sr_0.4MnO₃ the exponent n and the magnetic entropy change follow a master curve behavior. With the universal scaling curve, the experimental ?S at several temperatures and fields can be extrapolated.     

Field-induced magnetic transition in a mixed rare-earth aluminum garnet Er<Subscript>2</Subscript>HoAl<Subscript>5</Subscript>O<Subscript>12</Subscript>

The temperature dependence of the ac magnetic susceptibility of a single-crystal mixed rare-earth garnet Er₂HoAl₅O₁₂ has been investigated within the range from 1.8 to 300 K in a zero constant field and in applied bias fields of up to 9 T. In the absence of a constant magnetic field the magnetic susceptibility followed the Curie–Weiss law. The application of a constant magnetic field caused a magnetic phase transition, the temperature of which increased with increasing magnetic field. The temperature of the maximum of the ac magnetic susceptibility, which is a characteristic of the phase transition, did not show a noticeable dependence on the frequency of the alternating magnetic field.     

Electronic structure and magnetic coupling in CaV<Subscript>2</Subscript>O<Subscript>5</Subscript>: spin dimer versus spin ladder

The electronic structure and magnetic exchange interactions of the ladder vanadate CaV₂O₅ have been studied by ab initio electronic structure calculations based on density functional theory (DFT). Geometry optimization and electronic structure calculations are performed using spin-polarized generalized gradient approximation (GGA) exchange-correlation functionals for four possible spin-ordered states. The experimentally observed insulating behavior has been reproduced successfully in the framework of the band theory by considering the magnetic ordering. Calculated results reveal that the true magnetic ground state of CaV₂O₅ is the antiferromagnetic (AFM) state with AFM exchange interactions both inside the rungs and along the ladder legs. Calculated exchange parameters indicate that the ladder structural vanadate CaV₂O₅ should be described as weakly coupled dimer system rather than as spin ladder compound. The AFM interactions inside the dimer are crucial to the insulating ground state and magnetic characteristics of CaV₂O₅.     

Large magnetic entropy change in Nd<Subscript>2/3</Subscript>Sr<Subscript>1/3</Subscript>MnO<Subscript>3</Subscript>

In order to search for new materials for the application of magnetic refrigeration, the polycrystalline perovskite compound Nd_2/3Sr_1/3MnO₃ was prepared by a solid-state method. The dependence of the magnetization on the applied field and temperature was measured near the Curie temperature. In terms of Maxwells equation, the temperature dependence of the absolute value of the isothermal magnetic entropy change |S_M| at various applied fields from 1 T to 5 T was determined. The results showed that a large magnetic entropy change was observed in this compound. The maximum magnetic entropy change |S_M^max|can reach 3.25 J/kgK with an applied field of 1 T at the Curie temperature of 257.5 K, which equals that of Gd. At 5 T applied field, it is 7.57 J/kgK. Such good magnetocaloric properties make this compound a promising candidate for the application of magnetic refrigeration in the room-temperature range. PACS 74.25.Ha; 75.30.-m; 75.30.Sg; 75.50.-y; 75.60.-d     

Magnetoresistive effect in RCu<Subscript>3</Subscript>Mn<Subscript>4</Subscript>O<Subscript>12</Subscript> perovskite-like oxides

The electrical properties of and the magnetoresistive effect in RCu₃Mn₄O₁₂ (R=rare-earth ion or Th) are studied. In all compounds of this series, the magnetoresistive effect amounts to 20% at liquid nitrogen temperature in the presence of a field of 0.9 T. An increase in the magnetoresistance with decreasing temperature and a high sensitivity to weak magnetic fields at low temperatures point to the intergranular nature of the effect. The magnetoresistance shows a peak in the vicinity of the Curie temperature T_C. Based on the dependences of the magnetoresistance on an external magnetic field, it is assumed that the magnetoresistance peak near T_C is related to the charge carrier scattering by magnetic inhomogeneities as in substituted orthomanganites. We believe that the magnetoresistance value near the magnetic ordering temperature depends on the synthesis conditions and the effect of the intergranular spacer on the transport properties of these compounds.     

Multiple magnetic transitions in single crystals of Ce<Subscript>12</Subscript>Fe<Subscript>57.5</Subscript>As<Subscript>41</Subscript> and La<Subscript>12</Subscript>Fe<Subscript>57.5</Subscript>As<Subscript>41</Subscript>

Measurements of magnetic and transport properties were performed on needle-shaped single crystals of Ce₁₂Fe_57.5As₄₁ and La₁₂Fe_57.5As₄₁. The availability of a complete set of data enabled a side-by-side comparison between these two rare earth compounds. Both compounds exhibited multiple magnetic orders within 2–300 K and metamagnetic transitions at various fields. Ferromagnetic transitions with Curie temperatures of 100 and 125 K were found for Ce₁₂Fe_57.5As₄₁ and La₁₂Fe_57.5As₄₁, respectively, followed by antiferromagnetic type spin reorientations near Curie temperatures. The magnetic properties underwent complex evolution in the magnetic field for both compounds. An antiferromagnetic phase transition at about 60 K and 0.2 T was observed merely for Ce₁₂Fe_57.5As₄₁. The field-induced magnetic phase transition occurred from antiferromagnetic to ferromagnetic structure. A strong magnetocrystalline anisotropy was evident from magnetization measurements of Ce₁₂Fe_57.5As₄₁. A temperature-field phase diagram was present for these two rare earth systems. In addition, a logarithmic temperature dependence of electrical resistivity was observed in the two compounds within a large temperature range of 150–300 K, which is rarely found in 3D-based compounds. It may be related to Kondo scattering described by independent localized Fe 3d moments interacting with conduction electrons.     

Effect of a magnetic field on the thermal and kinetic properties of the Sm<Subscript>0.55</Subscript>Sr<Subscript>0.45</Subscript>MnO<Subscript>3.02</Subscript> manganite

The temperature and magnetic-field dependences of the heat capacity, thermal conductivity, thermopower, and electrical resistivity of the Sm_0.55Sr_0.45MnO_3.02 ceramic material are studied in the temperature range 77–300 K and in magnetic fields up to 26 kOe. It is revealed that the quantities under investigation exhibit anomalous behavior due to a magnetic phase transition at the Curie temperature T_C. An increase in the magnetic field strength H leads to an increase in the Curie temperature T_C and a jump in the heat capacity ΔC_p at T_C. The temperature dependences of the measured quantities are characterized by hystereses that are considerably suppressed in a magnetic field of 26 kOe and depend neither on the thermocycling range nor on the rate of change in the temperature. The thermal conductivity K at temperatures above T_C shows unusual behavior for crystalline solids (dK/dT>0) and, upon the transition to a ferromagnetic state, drastically increases as a result of a decrease in the phonon scattering by Jahn-Teller distortions. It is demonstrated that the hystereses of the studied properties of the Sm_0.55Sr_0.45MnO_3.02 manganite are caused by a jumpwise change in the critical temperature due to variations in the lattice parameters upon the magnetic phase transition.     

Peculiarities of the critical dynamics in magnetically uniaxial PbFe<Subscript>12</Subscript>O<Subscript>19</Subscript> hexaferrite

The conditions under which the thermodynamic theory of the critical slowing-down of the order parameter relaxation rate describes the behavior of magnetically uniaxial crystals are formulated. Taking into account the formulated conditions, the peculiarities of the dynamic magnetic susceptibility and the critical slowing-down of the magnetization relaxation rate of PbFe₁₂O₁₉ in the vicinity of the Curie temperature are studied. The obtained experimental results agree well with the droplet model of phase transitions. Based on the experimental data, an estimated value of the correlation length for the magnetization in the temperature area of the critical slowing-down of the relaxation rate is obtained within the droplet model.     

Theoretical study of enhanced ferromagnetism and tunable magnetic anisotropy of monolayer CrI3 by surface adsorption

Magnetic anisotropy energy (MAE) plays a key role for 2D magnetic materials, which have attracted significant attention for their promising applications in spintronic devices. Based on first-principles calculations, we have investigated the influence of surface adsorption on the ferromagnetism and MAE of monolayer CrI₃. We find that Li adsorption can dramatically enhance its ferromagnetism, and tune its easy magnetization axis to the in-plane direction from original out-of-plane at certain coverage of Li. The monotonic enhancement of in-plane magnetism in CrI₃ as the coverage of Li increases are attributed to electrostatic doping induced by charge transfer between Li atoms and I atoms, as supported by the charge doping simulation. The tunable robust magnetic anisotropy may open new promising applications of CrI₃–based materials in spintronic devices.