A density functional theory study of the electronic structures and magnetic properties of Fe（1-x）Cox alloy nanowires encapsulated in （10,0） carbon nanotubes

Under the generalized gradient approximation, the electronic structures and magnetic properties of Fe_(1-x)Co_x alloy nanowires encapsulated inside zigzag (10,0) carbon nanotubes (CNTs) are investigated systematically using firstprinciple density functional theory calculations. For the fully relaxed Fe_(1-x)Co_x/CNT structures, all the C atoms relax outwards, and thus the diameters of the CNTs are slightly increased. Formation energy analysis shows that the combining processes of all Fe_(1-x)Co_x/CNT systems are exothermic, and therefore the Fe_(1-x)Co_xalloy nanowires can be encapsulated into semiconducting zigzag (10,0) CNTs and form stable hybrid structures. The charges are transferred from the Fe_(1-x)Co_xnanowires to the more electronegative CNTs, and the Fe-C/Co-C bonds formed have polar covalent bond characteristics. Both the spin polarization and total magnetic moment of the Fe_(1-x)Co_x/CNT system are smaller than those of the corresponding freestanding Fe_(1-x)Co_xnanowire, and the magnetic moment of the Fe_(1-x)Co_x/CNT system decreases monotonously with increasing Co concentration, but the Fe_(1-x)Co_x/CNT systems still have a large magnetic moment, implying that they can be utilized in high-density magnetic recording devices.     

Ab initio studies on the mechanic and magnetic properties of PdHx

Based on ab initio total energy calculations,the structural,electronic,mechanic,and magnetic properties of PdH x are investigated.It is found that bulk modulus of PdH x is larger than the metal Pd with the hydrogen storage except Pd 4 H 2.The calculated results for the magnetic moments show that the hydrogen addition weakens the magnetic properties of the PdH x systems.A strong magneto-volume effect is found in PdH x structures as well as Pd.The transition from paramagnetism to ferromagnetism is discussed.The corresponding densities of states for both structures are also shown to understand the magnetic behaviour.     

The influence of nitrogen vacancies on the magnetic and electronic properties of ruthenium mononitride: First-principles study

We present FLAPW-GGA calculations of the magnetic and electronic properties of cubic RuN_x (x=1.0, 0.75 and 0.50). We find that RuN exhibits a ferromagnetic ground state and the local ruthenium magnetic moment abruptly decreases with nitrogen vacancies. The relative positions of t_2g and e_g states and the Ru 4d–N 2p hybridization in RuN_x are discussed. We have also found that the magnetic behavior for RuN_x vs. FeN_x as dependent on the nitrogen vacancies content displays an opposite trend.     

Magnetic transitions and magnetoresistance of -type () compounds

Magnetic transitions and magnetotransport properties of polycrystalline Tb_1−xGd_xMn₆Ge₆ (x=0.2–1.0) compounds have been investigated by magnetic property and resistivity measurements in an applied magnetic field up to 50 kOe. The cell parameter a,c and cell volume V of compounds (x=0.2–1.0) increase with an increasing Gd content. The compounds (x=0.2–1.0) show a rich variety of magnetic behavior, such as antiferromagnetic, ferrimagnetic and paramagnetic state with increasing temperature. Their Curie temperatures increase almost linearly with an increasing Gd content from 460 K for x=0.2 to 484 K for x=1.0. The compounds (x=0.2–1.0) display the field induced metamagnetic transitions, and the threshold fields first increase and then decrease with an increasing Gd content. The magnetoresistance curves of the Tb_0.4Gd_0.6Mn₆Ge₆ compounds in an applied magnetic field up to 50 kOe are presented and the magnetoresistance effects are related to the metamagnetic transitions.     

Magnetic-Field-Controlled Quantum Critical Points in the Triangular Antiferromagnetic Cs2CuCl4-xBrx Mixed System

The triangular antiferromagnetic Cs₂CuCl_4-xBr_x mixed system is studied by neutron single-crystal diffraction in magnetic field. It shows a rich magnetic phase diagram consisting of four regimes depending on the Br concentration and is characterized by different exchange coupling mechanisms. For the investigated compositions from regime I (0 < x ≤ 1.5), a critical magnetic field B_c is found for a Br concentration x = 0.8 at B_c = 8.10(1) T and for x = 1.1 at B_c = 7.73(1) T and from regime IV (3.2 < x < 4) for x = 3.3 at B_c = 0.99(3) T. For magnetic fields larger than the respective B_c, magnetic superlattice reflections of these compounds are not found. The incommensurate magnetic wave vector q = (0, 0.470, 0) appears below the ordering temperature T_N = 0.51(1) K for Cs₂CuCl_3.2Br_0.8, and q = (0, 0.418, 0) below T_N = 1.00(6) K for Cs₂CuCl_0.3Br_3.7. Neutron diffraction experiments at around 60 mK for x = 3.7 in a magnetic field show the critical magnetic field at B_c = 7.94(16) T and the formation of the second magnetic phase at around 8.5 T depending on the temperature. Inelastic neutron scattering experiments for the compound from regime III (2 < x ≤ 3.2) with x = 2.2 show dynamical correlations at a temperature around 50 mK giving evidence for a spin liquid phase.     

Photosensitivity of surface-barrier and point structures on Cd<Subscript>1 − x</Subscript>Mn<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Te single crystals

Two new types of photosensitive structures are proposed and fabricated for the first time on solid-solution single crystals of diamondlike Cd_{1 − x} Mn _x Te (x = 0−0.7) magnetic semiconductors. The photoelectric properties of surface-barrier (In/Cd_{1 − x} Mn _x Te) and welded (weld/Cd_{1 − x} Mn _x Te) structures are studied at T=300 K. The photosensitivity spectra of these structures are analyzed and compared; as a result, the character of the interband optical transitions and the energy gaps of the Cd_{1 − x} Mn _x Te crystals are determined. These structures can be applied in magnetic photoelectronic devices.     

新超导体MgCNi3的虚晶掺杂研究

用全势线性缀加平面波方法,考虑局域自旋密度近似研究虚晶掺杂MgCNi₃的超导电性和磁性.计算了自旋极化能带结构、体弹性模量和它对压力的导数、原子磁矩m及其变化率.计算结果表明，对于电子掺杂的Mg_1-xAl_xCNi₃(0≤x≤0.5)，超导电性和磁涨落随掺杂量的增加逐渐减小.空穴掺杂的Mg_1-xNa_xCNi₃,在x＝0.12处出现铁磁相变，超导电性消失.在MgCNi₃少量空穴掺杂区域(0≤x<0.12)，表现为超导与磁涨落共存的不稳定状态. 关键词： 超导电性 能带结构 态密度 磁性     

Helimagnetism of CuxZn1−xCr2Se4 (for 0.0 ≤ × ≤ 0.1)

Abstract

The magnetization, the susceptibility and the magnetic anisotropy field of Cu _x Zn_1?xCr₂Se₄ compounds have been studied at low temperatures (down to 2.9 K) in: high magnetic stationary fields (up to 14 T), high pulsed magnetic fields (up to 25 T), medium magnetic stationary fields (up to 0.6 T). The magnetic structure of these spinels was studied by neutron powder diffraction.

The magnetic properties of Cu_xZn_1?xCr₂Se₄ are explained in terms of the molecular field approximation assuming the existence of 90° exchange interactions, ferromagnetic for Cr-Se-Cr between the nearest Cr ions and antiferromagnetic for Cr-Se-Se-Cr between the second-nearest Cr ions. The exchange parameters and integrals for the whole series under consideration are calculated. Taking into account the three magnetic phase transitions observed in these spinels (Juszczyk, Krok, Okońska-Koz?owska, Broda, Warczewski, Byszewski, 1981) and the neutron diffraction studies a modification of the simple spin spiral forced by a strong magnetic field is described.     

Magnetic properties of xCoO.(1-x)[2B2O3.K2O] glasses

The results of magnetic investigations onxCoO.(1-x)[2B₂O₃.K₂O] glasses are reported. The magnetic properties of these glasses are dependent on the CoO content. For glasses withx > > 10 mol% CoO, the Co²⁺ ions are coupled antiferromagnetically.     

Magnetic and magnetocaloric properties of Pr0.6−xEuxSr0.4MnO3 manganese oxides

Studies of the structural, magnetic and magnetocaloric properties of polycrystalline Pr_0.6−xEu_xSr_0.4MnO₃ (0≤x≤0.15) perovskite manganites were carried out. Substitution for praseodymium with europium, with smaller ionic radius, induces local distortion in the 〈Mn–O–Mn〉 bonds and consequently causes a random distribution in the magnetic exchange interactions. The competition between magnetic interactions leads to the appearance of an inhomogeneous magnetic state in our samples. Pr_0.6−xEu_xSr_0.4MnO₃ (x=0, 0.05, 0.1 and 0.15) polycrystalline samples were prepared using the solid–solid reaction method at high temperature. The compounds yielded are single phase and crystallize in the orthorhombic system with the Pnma space group. The substitution of Eu for Pr leads to a decrease of the Curie temperature T_C from 303 K for x=0.00 to 260 K for x=0.15. All of our compounds exhibit a large magnetic entropy change with a maximum around 2.2 J/kg K under a magnetic applied field change of 2 T for all compounds.     

Magnetic field effect on transitions between direct and indirect excitons in diluted magnetic semiconductor double quantum wells

Transitions between direct and indirect excitons with change of magnetic field in double quantum well heterostructure Cd_1−xMg_xTe/Cd_1−yMg_yTe/Cd_1−xMg_xTe/Cd_1−zMn_zTe/Cd_1−xMg_xTe in external magnetic field are studied. The structure contains diluted magnetic semiconductor (Cd,Mn)Te layer that forms magnetic quantum well with the depth depending on the magnetic field intensity. Above some magnetic field the indirect exciton becomes the lowest excited state of the system. The indirect exciton lifetime exceeds by several orders of magnitude of the direct exciton one. The range of quantum well widths for which the indirect exciton is the exciton lowest state was estimated for the proposed system.     

Spin-polarized first-principles study of ferromagnetism in zinc-blende In<Subscript>1−x</Subscript>Mn<Subscript>x</Subscript>Sb

First-principles calculations based on the density functional theory are performed to study the structural properties, spin-polarized electronic band structures, density of states and magnetic properties of the zinc blende In_{1− x} Mn _x Sb (x = 0.125, 0.25, 0.50, 0.75, 1.0). The calculated lattice constants of In_{1− x} Mn _x Sb obey the Vegard’s law with a marginal upward bowing. With the increase of Mn concentration in In_{1− x} Mn _x Sb, a transition from the semi-metallic to the half-metallic behavior happens such that the majority-spin valence states crosses the Fermi level and the minority-spin states have a gap at the Fermi level. A large exchange splitting (∼ 4 eV) is observed between Mn 3d states of the majority-spins and the minority-spins. The total magnetic moment of In_{1− x} Mn _x Sb half-metallic ferromagnets per Mn atom basis is 4μ _B. The total magnetic moment per Mn atom indicate that Mn atoms act as acceptors in InSb and contribute to holes in the lattice of InSb. Due to p-d hybridization, the free space charge of Mn reduces that results a loss in its magnetic moment. The loss in the magnetic moment of the Mn atoms is converted into a small local magnetic moments on the In and Sb sites.     

Magnetic and optical properties of Zn1– x Fe x O ( x = 0.05 and 0.10) diluted magnetic semiconducting nanoparticles

We have investigated the magnetic and optical properties of chemically low temperature-synthesized Zn_{1– x} Fe _x O (x = 0.05 and 0.10) diluted magnetic semiconducting nanoparticles (～7 nm). Observed magnetic behaviour of x = 0.05 samples showed that the net magnetic interaction was antiferromagnetic-like, a feature established by Curie–Weiss fit, concave Arrott–Belov–Kouvel (ABK) plots with the absence of spontaneous magnetization even at 5 K and stretched exponential-type time-dependent magnetization behaviour. Optimization of the Fe(x) dopant concentration in Zn_{1– x} Fe _x O gave the most favourable room-temperature ferromagnetism for x = 0.10, as supported by finite coercive field (～94.4 Oe) and remanent magnetization (0.011 µ_B/Fe ion) from strong hysteretic magnetization vs. magnetic-field curves at room temperature. The Curie temperature of the x = 0.10 sample was estimated at ～388 K. The existence of a room-temperature ferromagnetic phase was further established by the convex nature of the ABK plots with finite spontaneous magnetization. The observed magnetic behaviour for different x values is best explained by a magnetic polaron model.     

A novel proximity effect between superconductor and magnetic manganese oxide

A novel proximity effect between superconductor and magnetic manganese oxide has been found. To investigate interactions between superconductor and magnetic materials, we have fabricated both trilayered-type and coplanar-type junctions and investigated their current-voltage characteristics. The magnetic material was La_1-x Ca _x MnO _z (LCMO) or La_1-x Sr _x MnO _z (LSMO) manganese oxide. In YBCO/LCMO/YBCO junctions, supercurrents were observed through a magnetic barrier as thick as 500 nm. This phenomenon was also confirmed by coplanar junctions. The effect of magnetism of the barrier material was investigated. It was found that this proximity effect occurred only in a limited region where spin fluctuations are considered to exist.     

Phase transformations and magnetotransport properties of the Pr0.5Sr0.5Co1 ? xMnxO3 system

The structural, magnetic, and magnetotransport properties of Pr_0.5Sr_0.5Co_{1 − x} Mn _x O₃ (x < 0.65) perovskites are studied by magnetization and electrical conductivity measurements in magnetic fields up to 14 T and by neutron diffraction. In the manganese concentration range x < 0.5 and T = 300 K, the crystal structure is described by monoclinic space group I2/a; at x > 0.5, it is described by orthorhombic space group Imma. When the temperature decreases, a structural transformation without changing the symmetry takes place in all compounds. This transformation is caused by an active role of the inner shells of the praseodymium ion in chemical bond formation. The substitution of manganese for cobalt breaks a long-range ferromagnetic order near x ≈ 0.25, and a metal-dielectric transition occurs at x ≈ 0.15. The negative magnetoresistance is found to be maximal near a critical manganese concentration, where a long-range magnetic order is broken; it reaches 95% in a field of 14 T at T = 10 K for x = 0.2. An unusual dielectric magnetic state with a small spontaneous magnetic moment and a sharp transition into a paramagnetic state at T > 200 K is revealed in the concentration range 0.30 ≤ x ≤ 0.65 in spite of the absence of coherent magnetic neutron scattering. A model is proposed to explain the behavior of the magnetic properties in this phase.     

Extraordinary Magnetic Properties of Ca1–xEuxS and Sr1–xEuxS Solid Solutions

The electron paramagnetic resonance (EPR) spectra and the stationary magnetic susceptibility are investigated for Ca_1–x Eu _x S and Sr_1–x Eu _x S solid solutions (0.00005 < x < 0.0032). The EPR spectrum of Eu²⁺ in both matrices contains a wide structureless line in addition to the narrow lines of the superfine structure characteristic of ions with high local symmetry. Because of the extraordinary temperature dependence of this line in CaS:Eu, it is associated with strongly interacting magnetic centers, namely, exchange-coupling pairs and chains or more complex clusters of magnetic ions. At the same time, the dependence of the stationary magnetic susceptibility in the temperature range 4.2–50 K has no peculiarities for CaS:Eu and SrS:Eu and obeys the Curie law.     

Magnetic ordering in the perovskites Eu1−x CaxMnO3 (0⩻x⩻0.5)

The magnetic properties of Eu_1−x Ca_xMnO₃ have been investigated. As the calcium content increased up to x=0.2, the magnetization and the blocking temperature of the magnetic moments of clusters increased and the magnetic anisotropy decreased. As the calcium content increased further, the magnetization decreased, while the “freezing” temperature of the magnetic moments increased. Anomalies of the magnetic properties were observed in compositions with x=0.4 and 0.5 at T=40 K; these anomalies are attributed to a transition to the antiferromagnetic state in the charge-ordered phase. Fiz. Tverd. Tela (St. Petersburg) 39, 117–120 (January 1997)     

Magnetocaloric effect in La(Fe<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Si<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript>)<Subscript>13</Subscript> ferromagnets

The isothermal changes in the magnetic entropy and the lattice entropy and the adiabatic temperature change in La(Fe_0.88Si_0.12)₁₃ and La(Fe_0.86Si_0.14)₁₃ ferromagnets in a magnetic field are calculated. The calculations are performed with a generalized magnetostriction model of a ferromagnet; the calculation results are compared to experimental data. It is shown that the change in the lattice entropy decreases the magnetocaloric effect and makes it possible to explain the experimental data obtained for La(Fe _x Si_{1 − x} )₁₃ (x = 0.86, 0.88) ferromagnets. The temperature dependences of the bulk compression moduli of these ferromagnets are calculated, and these dependences indicate a strong lattice softening in the vicinity of the magnetic phase transition in them. The thermal expansion coefficient and some magnetic properties of the ferromagnet with x = 0.86 are measured to determine the numerical values of the parameters entering into calculation formulas.     

Non-fermi liquid transport in <Emphasis Type="Italic">R</Emphasis>Co<Subscript>2</Subscript>-based alloys

Results on the experimentally investigated dependence of the electrical resistivity of quasibinary alloys R _x Y_1−x Co₂, where R stands for magnetic rare earth elements, on temperature (2–300 K), composition (x = 0–1), and magnetic field (0–15 T) are presented. Non-Fermi liquid behavior of electrical resistivity in a magnetic field was observed in paramagnetic Gd _x Y_1−x Co₂ alloys. The relative magneto-thermopower of these alloys exhibits diverging behavior with decreasing temperature, indicating anomalous temperature variation of the thermopower in the non-Fermi liquid regime.     

Effects of the Mn/Co ratio on the magnetic transition and magnetocaloric properties of Mn1+xCo1-xGe alloys

We have investigated the magnetic transition and magnetocaloric effects of Mn 1+x Co 1 x Ge alloys by tuning the ratio of Mn/Co.With increasing Mn content,a series of first-order magnetostructural transitions from ferromagnetic to paramagnetic states with large changes of magnetization are observed at room temperature.Further increasing the content of Mn (x=0.11) gives rise to a single second-order magnetic transition.Interestingly,large low-field magnetic entropy changes with almost zero magnetic hysteresis are observed in these alloys.The effects of Mn/Co ratio on magnetic transition and magnetocaloric effects are discussed in this paper.