Quasi-one-dimensional quantum spin liquid in the Cu(C<Subscript>4</Subscript>H<Subscript>4</Subscript>N<Subscript>2</Subscript>)(NO<Subscript>3</Subscript>)<Subscript>2</Subscript> insulator

We analyze measurements of the magnetization, differential susceptibility and specific heat of quasi-onedimensional insulator Cu(C₄H₄N₂)(NO₃)₂ (CuPzN) subjected to magnetic fields. We show that the thermodynamic properties are defined by quantum spin liquid formed with spinons, with the magnetic field tuning the insulator CuPzN towards quantum critical point related to fermion condensation quantum phase transition (FCQPT) at which the spinon effective mass diverges kinematically. We show that the FCQPT concept permits to reveal and explain the scaling behavior of thermodynamic characteristics. For the first time, we construct the schematic T–H (temperature-magnetic field) phase diagram of CuPzN that contains Landau–Fermi-liquid, crossover and non-Fermi liquid parts, thus resembling that of heavy-fermion compounds.     

Realization of a Double-Slit SQUID Geometry by Fermi Arc Surface States in a WTe<Subscript>2</Subscript> Weyl Semimetal

We experimentally study electron transport between two superconducting indium leads, coupled to the WTe₂ crystal surface. WTe₂ is characterized by presence of Fermi arc surface states, as a predicted type-II Weyl semimetal candidate. We demonstrate Josephson current in unprecedentedly long 5 µm In–WTe₂–In junctions, which is confirmed by I–V curves evolution with temperature and magnetic field. The Josephson current is mostly carried by the topological surface states, which we demonstrate in a double-slit superconducting quantum interference device geometry, realized by coupling the opposite WTe₂ crystal surfaces.     

Metamagnetism near <Emphasis Type="Italic">T</Emphasis><Subscript>C</Subscript> in Mn-substituted chalcopyrite Cd<Subscript>0.90</Subscript>Mn<Subscript>0.10</Subscript>GeAs<Subscript>2</Subscript>

The magnetic and electric properties of a Cd_0.90Mn_0.10GeAs₂ solid solution with the chalcopyrite structure have been investigated in wide temperature and field ranges. It has been found that a metamagnetic transition from a low-magnetization state to a high-magnetization one is initiated in Cd_0.90Mn_0.10GeAs₂ near the magnetic ordering temperature. This transition is accompanied by the hysteresis of magnetic properties. An external magnetic field at temperatures above T _C also induces the metamagnetic transition. When the temperature increases above T _C, the magnetization jump decreases, whereas fields inducing the metamagnetic transition increase. The band character of magnetism and metamagnetism in the effective magnetic field is assumed on the basis of the behavior of magnetization in the metamagnetic transition and analysis of the band structure of the solid solution of cadmium-germanium diarsenide with manganese.     

Magnetic quantum criticality in quasi‐one‐dimensional Heisenberg antiferromagnet

We analyze exciting recent measurements [Phys. Rev. Lett. 114 (2015) 037202] of the magnetization, differential susceptibility and specific heat on one dimensional Heisenberg antiferromagnet Cu(C₄H₄N₂)(NO₃)₂ (CuPzN) subjected to strong magnetic fields. Using the mapping between magnons (bosons) in CuPzN and fermions, we demonstrate that magnetic field tunes the insulator towards quantum critical point related to so‐called fermion condensation quantum phase transition (FCQPT) at which the resulting fermion effective mass diverges kinematically. We show that the FCQPT concept permits to reveal the scaling behavior of thermodynamic characteristics, describe the experimental results quantitatively, and derive for the first time the (temperature—magnetic field) phase diagram, that contains Landau‐Fermi‐liquid, crossover and non‐Fermi liquid parts, thus resembling that of heavy‐fermion compounds.     

Quantum oscillations of the resistivity and hall coefficient and the quantum limit in Bi<Subscript>0.93</Subscript>Sb<Subscript>0.07</Subscript> alloys in a magnetic field along the trigonal axis

The dependences of the electrical resistivity ρ and the Hall coefficient R on the magnetic field have been measured for single-crystal samples of the n-Bi_0.93Sb_0.07 semiconductor alloys with electron concentrations in the range 1 × 10¹⁶ cm⁻³ < n < 2 × 10¹⁸ cm⁻³. It has been found that the measured dependences exhibit Shubnikov-de Haas quantum oscillations. The magnetic fields corresponding to the maxima of the quantum oscillations of the electrical resistivity are in good agreement with the calculated values of the magnetic fields in which the Landau quantum level with the number N intersects the Fermi level. The quantum oscillations of the Hall coefficient with small numbers are characterized by a significant spin splitting. In a magnetic field directed along the trigonal axis, the quantum oscillations of the resistivity ρ and the Hall coefficient R are associated with electrons of the three-valley semiconductor and are in phase with the magnetic field. In the case of a magnetic field directed parallel to the binary axis, the quantum oscillations associated both with electrons of the secondary ellipsoids in weaker magnetic fields and with electrons of the main ellipsoid in strong magnetic fields (after the overflow of electrons from the secondary ellipsoids to the main ellipsoid) are also in phase. In magnetic fields of the quantum limit ħω _c /2 ≥ E _F, the electrical conductivity increases with an increase in the magnetic field: σ₂₂(H) ∼ H ^k . A theoretical evaluation of the exponent in this expression for a nonparabolic semiconductor leads to values of k close to the experimental values in the range 4 ≤ k ≤ 4.6, which were obtained for samples of the semiconductor alloys with different electron concentrations. A further increase in the magnetic field results in a decrease of the exponent k and in the transition to the inequality σ₂₂(H) ≤ σ₂₁(H).     

Coulomb correlations do not fill the e<Superscript>′</Superscript><Subscript>g</Subscript> hole pockets in Na<Subscript>0.3</Subscript>CoO<Subscript>2</Subscript>

There exists presently considerable debate over the question whether local Coulomb interactions can explain the absence of the small e^′ _g Fermi surface hole pockets in photoemission studies of Na_0.3CoO₂. By comparing dynamical mean field results for different single particle Hamiltonians and exact diagonalization as well as quantum Monte Carlo treatments, we show that, for realistic values of the Coulomb energy U and Hund exchange J, the e^′ _g pockets can be slightly enhanced or reduced compared to band structure predictions, but they do not disappear.     

Investigation of the field-tuned quantum critical point in CeCoIn<Subscript>5</Subscript>

The main properties and the type of the field-tuned quantum critical point in the heavy-fermion metal CeCoIn₅ that arise upon application of magnetic fields B are considered within a scenario based on fermion condensation quantum phase transition. We analyze the behavior of the effective mass, resistivity, specific heat, charge, and heat transport as functions of applied magnetic fields B and show that, in the Landau Fermi liquid regime, these quantities demonstrate critical behavior, which is scaled by the critical behavior of the effective mass. We show that, in the high-field non-Fermi liquid regime, the effective mass exhibits very specific behavior, M*～ T^{? 2/3}, and the resistivity demonstrates T^2/3 dependence. Finally, at elevated temperatures, it changes to M*～T^?1/2, while the resistivity becomes linear in T. In zero magnetic field, the effective mass is controlled by temperature T and the resistivity is also linear in T. The obtained results are in good agreement with recent experimental facts.     

Tuning the electronic properties of the fullerene C<Subscript>20</Subscript> cage via silicon impurities

The fullerene C₂₀ represents one of the most active classes of nanostructures, and they have been widely used as active materials for important applications. In this study, we investigate and discuss the tuning of the electronic properties of the fullerene C₂₀ cage via various consternations and locations of silicon atoms. All calculations are based on the density functional theory (DFT) at the B3LYP/3-21G level through the Gaussian 09W program package. The optimized structures, density of state (DOS) analysis, total energies, dipole moments, HOMO energies, Fermi level energies, LUMO energies, energy gaps, and the work functions were performed and discussed. Our results show that the electronic properties of C₂₀ cage do not only depend on the silicon impurity concentrations, but also depend on the geometrical pattern of silicon impurities in the C₂₀ cage. The tuning of the electronic properties leads to significant changes in the charge transport and the absorption spectra for C₂₀ cage via engineering the energy gap. So, we suggest that substitutional impurities are the best viable option for enhancement of desired electronic properties of C₂₀ cage for using these structures in nanoelectronics and solar cell applications.     

Colossal magnetodielectric effect in SmFe<Subscript>3</Subscript>(BO<Subscript>3</Subscript>)<Subscript>4</Subscript> multiferroic

The colossal (more than threefold) decrease in the dielectric constant ɛ in the easy-plane SmFe₃(BO₃)₄ ferroborate in a magnetic field of ∼5 kOe applied in the basal ab plane of the crystal has been found. A close relation of this effect to anomalies in the field dependence of the electric polarization has been established. It has been shown that this magnetodielectric effect is due to the contribution to ɛ from the electric susceptibility, which is related to the rotation of spins in the ab plane, arises in the region of the antiferromagnetic ordering T < T _N = 33 K, and is suppressed by the magnetic field. A theoretical model describing the main features of the behavior of ɛ and electric polarization in the magnetic field has been proposed, taking into account the additional anisotropy in the basal plane induced by the magnetoelastic stresses.     

Anomalies of the specific heat near the quantum critical point in Tm<Subscript>0.74</Subscript>Yb<Subscript>0.26</Subscript>B<Subscript>12</Subscript>

The behavior of the specific heat near the quantum critical point x ∼ 0.3 in the Tm_{1 − x} Yb _x B₁₂ system has been studied. Detailed measurements have been performed on high-quality single-crystalline Tm_0.74Yb_0.26B₁₂ samples within a wide temperature range of 1.9–300 K in a magnetic field up to 9 T. The temperature dependence of the magnetic contribution to the specific heat has a logarithmic divergence of the form C/T ∼ lnT at T < 4 K, which can be attributed to the quantum critical behavior regime suppressed by the external magnetic field. The Schottky anomaly of the magnetic contribution to the specific heat in Tm_0.74Yb_0.26B₁₂ has been analyzed.     

Exchange coupling between Co<Subscript>0.9</Subscript>Fe<Subscript>0.1</Subscript> and bismuth ferrite layers: Cut (110)

The value of the exchange coupling between a Co_0.9Fe_0.1 nanolayer and a bismuth ferrite multiferroic (BiFeO₃) nanolayer has been calculated. Two possible variants of matching of the layer crystal structures are proposed. The interaction energy of the layers is shown to be sufficient to record information in the Co_0.9Fe_0.1 layer that enters in the composition of the magnetic tunnel junction by applying an electric field to the bismuth ferrite layer.     

Electronic structure of paramagnetic In<Subscript>1-x</Subscript>Mn<Subscript>x</Subscript> As nanowires

The electronic structure, spin splitting energies, and g factors of paramagnetic In_1-xMn_xAs nanowires under magnetic and electric fields are investigated theoretically including the sp-d exchange interaction between the carriers and the magnetic ion. We find that the effective g factor changes dramatically with the magnetic field. The spin splitting due to the sp-d exchange interaction counteracts the Zeeman spin splitting. The effective g factor can be tuned to zero by the external magnetic field. There is also spin splitting under an electric field due to the Rashba spin-orbit coupling which is a relativistic effect. The spin-degenerated bands split at nonzero k_z (k_z is the wave vector in the wire direction), and the spin-splitting bands cross at k_z = 0, whose k_z-positive part and negative part are symmetrical. A proper magnetic field makes the k_z-positive part and negative part of the bands asymmetrical, and the bands cross at nonzero k_z. In the absence of magnetic field, the electron Rashba coefficient increases almost linearly with the electric field, while the hole Rashba coefficient increases at first and then decreases as the electric field increases. The hole Rashba coefficient can be tuned to zero by the electric field.     

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.     

Magnetic and thermal properties of single-crystal NdFe<Subscript>3</Subscript>(BO<Subscript>3</Subscript>)<Subscript>4</Subscript>

The neodymium ferroborate NdFe₃(BO₃)₄ undergoes an antiferromagnetic transition at T _N = 30 K, which manifests itself as a λ-type anomaly in the temperature dependence of the specific heat C and as inflection points in the temperature dependences of the magnetic susceptibility χ measured at various directions of an applied magnetic field with respect to the crystallographic axes of the sample. Magnetic ordering occurs only in the subsystem of Fe³⁺ ions, whereas the subsystem of Nd³⁺ ions remains polarized by the magnetic field of the iron subsystem. A change in the population of the levels of the ground Kramers doublet of neodymium ions manifests itself as Schottky-type anomalies in the C(T) and χ(T) dependences at low temperatures. At low temperatures, the magnetic properties of single-crystal NdFe₃(BO₃)₄ are substantially anisotropic, which is determined by the anisotropic contribution of the rare-earth subsystem to the magnetization. The experimental data obtained are used to propose a model for the magnetic structure of NdFe₃(BO₃)₄.     

Electric field-induced formation of a new commensurate phase of the [N(CH<Subscript>3</Subscript>)<Subscript>4</Subscript>]<Subscript>2</Subscript>CuCl<Subscript>4</Subscript> crystal

The formation of a new commensurate phase with a dimensionless wave number q = 1/3 in an [N(CH₃)₄]₂CuCl₄ crystal under the action of an external electric field is analyzed theoretically. The phase diagram is constructed on a plane specified by two coefficients of the thermodynamic potential in the presence and in the absence of an external electric field.     

Evolution of the antiferromagnetism vector of a multiferroic BiFeO<Subscript>3</Subscript> during switching its ferroelectric polarization

The evolution of the antiferromagnetism vector of multiferroic BiFeO₃ during switching of its ferroelectric polarization by an electric field has been studied by numerical simulation in the framework of the phenomenological model for the magnetic anisotropy energy. Optimal variants have been found for the cut of electrosensitive BiFeO₃ layer, the deformation induced by a substrate, and the direction of applying electric field for the development of prototypes of new-generation marnetoresistive memory.     

Pressure-Induced Decrease in the Curie Temperature of Gd<Subscript>2</Subscript>Fe<Subscript>17</Subscript>: LSDA+U Calculations

To explain the magnetic properties of advanced ferromagnetic intermetallic compounds of the R₂Fe₁₇ (R is a rare-earth element) class, experimentalists often use the hypothesis of competition between ferromagnetic exchange and antiferromagnetic exchange between four types of the nearest iron atoms in nonequivalent lattice sites. For the rhombohedral Gd₂Fe₁₇ ferromagnet, we calculate the magnetic moments of iron and gadolinium ions, the parameters of exchange between Fe atoms, and Curie temperature T_C at a zero pressure and during hydrostatic lattice compression. The magnetic moment of the unit cell of Gd₂Fe₁₇ is shown to decrease under pressure, and this decrease is almost completely associated with a decrease in the magnetic moments of Fe rather than Gd ions, the pressure dependence of the magnetic moments of which is weaker by an order of magnitude. In contrast to the hypothesis regarding the competition of exchange interactions between different kinds of Fe atoms, the parameters of exchange between the nearest iron atoms in different crystallographic sites are found to be positive ferromagnetic (at a zero pressure and during compression), and a ferromagnetic character of interaction is shown to remain unchanged under pressure even for Fe atoms in the so-called dumbbell sites with the nearest interatomic distances. The Curie temperature T_C of Gd₂Fe₁₇ is shown to decrease with increasing pressure. The changes in the exchange parameters and the magnetic moments of Gd₂Fe₁₇ during compression are found to be mainly related to a change in the position of energy spectrum branches with respect to each other and the Fermi level ?_F rather than to a change in the overlapping of wavefunctions, which play a minor role.     

Angular studies of the magnetoresistance in the density wave state of the quasi-two-dimensional purple bronze KMo<Subscript>6</Subscript>O<Subscript>17</Subscript>

The purple molybdenum bronze KMo₆O₁₇ is a quasi-two-dimensional compound which shows a Peierls transition towards a commensurate metallic charge density wave (CDW) state. High magnetic field measurements have revealed several transitions at low temperature and have provided an unusual phase diagram “temperature-magnetic field”. Angular studies of the interlayer magnetoresistance are now reported. The results suggest that the orbital coupling of the magnetic field to the CDW is the most likely mechanism for the field induced transitions. The angular dependence of the magnetoresistance is discussed on the basis of a warped quasi-cylindrical Fermi surface and provides information on the geometry of the Fermi surface in the low temperature density wave state.     

Specificity of magnetoelectric effects in a new GdMnO<Subscript>3</Subscript> magnetic ferroelectric

A complex study of the magnetic, electric, magnetoelectric, and magnetoelastic properties of GdMnO₃ single crystals has been performed in the low-temperature region in strong pulsed magnetic fields up to 200 kOe. An anomaly of the dielectric constant along the a axis of a crystal has been found at 20 K, where a transition from an incommensurate modulated phase to a canted antiferromagnetic phase, as well as electric polarization along the a and b axes of the crystal induced by the magnetic field H‖ b (H_cr ～ 40 kOe), is observed. Upon cooling the crystal in an electric field, the magnetic-field-induced electric polarization changes its sign depending on the sign of the electric field. The occurrence of the electric polarization is accompanied by anisotropic magnetostriction, which points to a correlation between the magnetoelectric and magnetoelastic properties. Based on these results, it has been stated that GdMnO₃ belongs to a new family of magnetoelectric materials with the perovskite structure.     

Rotation of the inner shell in a C<Subscript>20</Subscript>@C<Subscript>80</Subscript> nanoparticle

The stability of a C₂₀@C₈₀ nanoparticle and the rotation of its inner shell are studied theoretically within the tight-binding approximation. It is found that the C₂₀ skeleton in the free state is described by space group D_3d; in the case where C₂₀ is placed into the C₈₀(I _h ) fullerene field, the space group of C₂₀ is raised to I _h due to isomerization. The total energy surface of the C₂₀@C₈₀ compound is scanned over two rotation angles. Based on an analysis of the surface relief and energy isoline map, orientational melting of the nanoparticle is predicted. A nanoparticle gyroscope—C₂₀ rotating in the field of C₈₀ at a certain relative orientation and energy supply—is also predicted to exist.