Influence of quantum fluctuations on the Néel temperature of a dilute two-dimensional anisotropic antiferromagnet

A quantum Monte Carlo procedure is used to calculate the energy, sublattice magnetization, Néel temperature, and the slopes of the S=[1/T _N(x=0)]dT _N(x)/dx curves as functions of the hole concentration and the exchange anisotropy Δ=1−J _x,y/J _z in the Heisenberg model with anisotropic negative interactions between nearest neighbors in a square lattice with dilution among the lattice sites. The slope diverges in the limit Δ→0: S∼ln(6.5/Δ). Fiz. Tverd. Tela (St. Petersburg) 39, 898–900 (May 1997)     

Modeling a dimer state in CuGeO3 in the two-dimensional anisotropic Heisenberg model with alternated exchange interaction

The two-dimensional Heisenberg spin-1/2 model with alternated exchange interaction along the c axis and an anisotropic distribution of the exchange interaction in the lattice, J _b/J _c=0.1, is examined. A quantum Monte Carlo method is used to calculate the phase diagrams of the antiferromagnet, the dimer state in a plane, the value of the alternation δ of the exchange interaction, and the anisotropy Δ=1−J ^xy/J ^z of the exchange interaction, Δ∼δ ^0.58(6). The following characteristics are calculated for Δ=0.25: the dependence of the temperature of the dimer-state-paramagnet transition on the alternation of the exchange interaction, T _c(δ)=0.55(4)(δ−0.082(6))^0.50(3), the singlet-triplet energy gap, and the dependence of the magnetization on the external field for some values of δ. The value of the exchange interaction, J _c=127 K, the alternation of the exchange interaction, δ=0.11J _c, and the correlation radius along the c axis, ξ _c≈28c, are determined. Finally, it is found that the temperature dependence of the susceptibility and the specific heat are in good agreement with the experimental data. Zh. éksp. Teor. Fiz. 112, 2184–2197 (December 1997)     

Magnetic properties of undoped YBa 2 Cu 3 O 6 + x system

In the present paper, we study the magnetic properties of bilayer cuprate antiferromagnets. In order to evaluate the expressions for spin-wave dispersion, sublattice magnetization, Néel temperature and the magnetic contribution to the specific heat, the double time Green's function technique has been employed in the random phase approximation (RPA). The spin wave dispersion curve for a bilayer antiferromagnetic system is found to consist of one acoustic and one optic branch. The “optical magnon gap” has been attributed solely to the intra-bilayer exchange coupling (J _⊥ ) as its magnitude does not change significantly with the inter-bilayer exchange coupling (J_z). However J_z is essential to obtain the acoustic mode contribution to the magnetization. The numerical calculations show that the Néel temperature (T _N ) of the bilayer antiferromagnetic system increases with the J_z and a small change in J_z gives rise to a large change in the Néel temperature of the system. The magnetic specific heat of the system follows a T² behaviour but in the presence of J_z it varies faster than T². Received 13 July 2000 and Received in final form 14 May 2001     

Temperature dependences of the high-field magnetization of dilute frustrated ferrimagnetic spinels

Results are presented of an investigation of the magnetic properties of dilute frustrated ferrimagnetic spinels Li_0.5Fe_2.5−x Ga_xO₄ (x=0.8–1.2), which characterize the main parameters of the ferrimagnetic state and provide evidence of local violation of collinear spin ordering and frustrations. In particular, measurements were made of the concentration dependences of the magnetic moment n ₀(x) and the Curie point T _c (x), the magnetization isotherms σ _T (H) at T=4.2 K and H⩽10 kOe, and also the low-and high-field magnetization polytherms σ _H (T). It was established that for x⩾0.8 in fields exceeding the technical saturation field H _s ∼2 kOe, the temperature dependences of the high-field magnetization σ _H (T) between 4.2 and 230 K cannot be described by the Bloch T ^3/2 law whereas this law is satisfied for undiluted Li spinel (x=0). Over the entire temperature range (4.2–230 K) the experimental curves σ _H (T) may be approximated by σ _H (T)=σ ₀(1−AT ^3/2 − BT ^5/2) for x=0.8–1.0 and σ _H (T)=σ ₀[1−CT ^3/2exp(μ(H−H ₀)/k _B T)] for x=1.1, 1.2, where μH ₀∼15 K is the internal field produced by competition between exchange interactions and frustrations. Fiz. Tverd. Tela (St. Petersburg) 40, 1075–1079 (June 1998)     

Zero Temperature Phases of the Frustrated <Emphasis Type="Italic">J</Emphasis><Subscript>1</Subscript>–<Emphasis Type="Italic">J</Emphasis><Subscript>2</Subscript> Antiferromagnetic Spin-1/2 Heisenberg Model on a Simple Cubic Lattice

At zero temperature magnetic phases of the quantum spin-1/2 Heisenberg antiferromagnet on a simple cubic lattice with competing first and second neighbor exchanges (J ₁ and J ₂) is investigated using the non-linear spin wave theory. We find existence of two phases: a two sublattice Néel phase for small J ₂ (AF), and a collinear antiferromagnetic phase at large J ₂ (CAF). We obtain the sublattice magnetizations and ground state energies for the two phases and find that there exists a first order phase transition from the AF-phase to the CAF-phase at the critical transition point, p _c =0.56 or J ₂/J ₁=0.28. We also show that the quartic 1/S corrections due spin-wave interactions enhance the sublattice magnetization in both the phases which causes the intermediate paramagnetic phase predicted from linear spin wave theory to disappear.     

Temperature dependence of the heat capacity and saturation magnetization of dilute reentrant ferrimagnetic spinels

Using model objects consisting of dilute reentrant spinels Li_0.5Fe_2.5−x Ga_xO₄ with x=1.0–1.2, this paper describes the temperature dependence of the magnetic contribution to the heat capacity, C _m (T), at H=0 and temperatures exceeding the freezing temperature (T _f ∼10 K) and, for T⩾4.2 K, the low-field magnetization σ _H (T) and the saturation magnetization σ _S (T), as well as the magnetization isotherms σ _T (T) in fields of up to 10 kOe. The specific features of the behavior of the overall characteristics of C _m (T) and σ _S (T) are found for the states of a frustrated ferrimagnetic that occur in the conditions considered here (H=0 and T>T _f or T⩾4.2 K and strong magnetic fields) and are discussed in connection with changes in the magnetic excitation spectrum caused by local breakdowns of collinear spin ordering and frustrations. Zh. éksp. Teor. Fiz. 113, 1339–1349 (April 1998)     

Spin state and exchange in the quasi-one-dimensional antiferromagnet KFeS2

We report the optical spectra and single crystal magnetic susceptibility of the one-dimensional antiferromagnet KFeS₂. Measurements have been carried out to ascertain the spin state of Fe³⁺ and the nature of the magnetic interactions in this compound. The optical spectra and magnetic susceptibility could be consistently interpreted using aS=1/2 spin ground state for the Fe³⁺ ion. The features in the optical spectra have been assigned to transitions within thed-electron manifold of the Fe³⁺ ion, and analysed in the strong field limit of the ligand field theory. The high temperature isotropic magnetic susceptibility is typical of a low-dimensional system and exhibits a broad maximum at ∼565K. The susceptibility shows a well defined transition to a three dimensionally ordered antiferromagnetic state atT _N=250 K. The intra and interchain exchange constants,J andJ′, have been evaluated from the experimental susceptibilities using the relationship between these quantities, andχ _max,T _max, andT _N for a spin 1/2 one-dimensional chain. The values areJ=−440.71 K, andJ′=53.94 K. Using these values ofJ andJ′, the susceptibility of a spin 1/2 Heisenberg chain was calculated. A non-interacting spin wave model was used belowT _N. The susceptibility in the paramagnetic region was calculated from the theoretical curves for an infiniteS=1/2 chain. The calculated susceptibility compares well with the experimental data of KFeS₂. Further support for a one-dimensional spin 1/2 model comes from the fact that the calculated perpendicular susceptibility at 0K (2.75×10⁻⁴ emu/mol) evaluated considering the zero point reduction in magnetization from spin wave theory is close to the projected value (2.7×10⁻⁴ emu/mol) obtained from the experimental data.     

Quasi-one-dimensional antiferromagnet LiCuVO4

An antiferromagnetic transition is observed in the quasi-one-dimensional metal-oxide compound LiCuVO₄. A wide peak is observed in the temperature dependence of the magnetic susceptibility at T _M =28 K, and the magnetic susceptibility exhibits a sharp drop at T _N ≈4 K. As the magnetic field increases, the antiferromagnetic-ordering temperature T _N =2.3 K at first increases somewhat and then decreases rapidly. The exchange interaction in the chains of copper-oxygen octahedra is estimated to be J ₁=22.5 K. The interchain interaction is estimated to be J ₂∼1 K. Pis’ma Zh. éksp. Teor. Fiz. 69, No. 11, 828–831 (10 June 1999)     

Radiation damages under irradiation of the BCS superconductor MgB<Subscript>2</Subscript> by high-energy electrons

This paper reports on the results of investigations of the influence of irradiation of the two-band BCS superconductor MgB₂ by electrons with an average energy $ \bar {\rm E} $ \bar {\rm E} ∼ 10 MeV at high doses (0 ≤ ϕt ≤ ∼2.5 × 10¹⁸ cm⁻²) on the temperature and width of the transition to the superconducting state, the temperature dependence of the electrical resistivity in the normal state, the crystal lattice parameters, and the diffraction line intensity. An increase in the electron irradiation dose ϕt leads to the following effects: a decrease in the critical temperature T _c ; an increase in the width of the superconducting transition ΔT _c ; and a decrease in the “residual electrical resistivity” ρ_{273 K}/ρ_{40 K}, in the parameters a and c of the hexagonal crystal lattice, and in the ratio between the diffraction line intensities I ₁₁₀/I ₁₀₀. From analyzing the results obtained, it has been established that the main type of radiation damages under irradiation of the BCS superconductor MgB₂ by high-energy electrons is the formation of vacancies in the B sublattice, which leads to a narrowing of the large band gap Δ_σ on the Fermi surface.     

High-Order Coupled Cluster Method (CCM) Calculations for Quantum Magnets with Valence-Bond Ground States

In this article, we prove that exact representations of dimer and plaquette valence-bond ket ground states for quantum Heisenberg antiferromagnets may be formed via the usual coupled cluster method (CCM) from independent-spin product (e.g. Néel) model states. We show that we are able to provide good results for both the ground-state energy and the sublattice magnetization for dimer and plaquette valence-bond phases within the CCM. As a first example, we investigate the spin-half J ₁–J ₂ model for the linear chain, and we show that we are able to reproduce exactly the dimerized ground (ket) state at J ₂/J ₁=0.5. The dimerized phase is stable over a range of values for J ₂/J ₁ around 0.5, and results for the ground-state energies are in good agreement with the results of exact diagonalizations of finite-length chains in this regime. We present evidence of symmetry breaking by considering the ket- and bra-state correlation coefficients as a function of J ₂/J ₁. A radical change is also observed in the behavior of the CCM sublattice magnetization as we enter the dimerized phase. We then consider the Shastry-Sutherland model and demonstrate that the CCM can span the correct ground states in both the Néel and the dimerized phases. Once again, very good results for the ground-state energies are obtained. We find CCM critical points of the bra-state equations that are in agreement with the known phase transition point for this model. The results for the sublattice magnetization remain near to the “true” value of zero over much of the dimerized regime, although they diverge exactly at the critical point. Finally, we consider a spin-half system with nearest-neighbor bonds for an underlying lattice corresponding to the magnetic material CaV₄O₉ (CAVO). We show that we are able to provide excellent results for the ground-state energy in each of the plaquette-ordered, Néel-ordered, and dimerized regimes of this model. The exact plaquette and dimer ground states are reproduced by the CCM ket state in their relevant limits. Furthermore, we estimate the range over which the Néel order is stable, and we find the CCM result is in reasonable agreement with the results obtained by other methods. Our new approach has the dual advantages that it is simple to implement and that existing CCM codes for independent-spin product model states may be used from the outset. Furthermore, it also greatly extends the range of applicability to which the CCM may be applied. We believe that the CCM now provides an excellent choice of method for the study of systems with valence-bond quantum ground states.     

Low-temperature resistivity of YBa2Cu3O6+x single crystals in the normal state

A scan of the superconductor-nonsuperconductor transformation in single crystals of YBa₂Cu₃O_6+x (x≈0.37) is done in two alternative ways, namely, by applying a magnetic field and by reducing the hole concentration through oxygen rearrangement. The in-plane normal-state resistivity ρ_ab obtained in the two cases is quite similar; its temperature dependence can be fitted by a logarithmic law in a temperature range of almost two decades. However, an alternative representation of the temperature dependence of σ_ab=1/ ρ _ab by a power law, typical for a 3D material near a metal-insulator transition, is also plausible. The vertical conductivity σ_c=1/ρ_c followed a power law, and neither σ_c(T), nor ρ_c(T) could be fitted by log T. It follows from the ρ_c measurements that the transformation at T=0 is split into two transitions: superconductor-normal-metal and normal-metal-insulator. In our samples, they are separated in oxygen content by Δx≈0.025. Pis’ma Zh. éksp. Teor. Fiz. 65, No. 11, 834–839 (10 June 1997) Published in English in the original Russian journal. Edited by Steve Torstveit.     

Bilayer exchange coupling and neel temperature of YBa2Cu3O6.2

The present paper attempts to study the Neel temperature of bilayer antiferromagnetic cuprate YBa₂Cu₃O_6.2 within anisotropic Heisenberg model. The double time Green’s function formalism within random phase approximation (RPA) has been used to obtain various correlation functions. The magnetization and the Neel temperature (T _N) are evaluated. It is observed that the ratio of intrabilayer to inplane exchange coupling (r=J⊥/J‖) plays an important role in the magnetic dynamics of bilayer systems. The recent experimental data of bilayer system YBa₂Cu₃O_6.2 have been used to estimate the ratio r from the expression for Neel temperature. The estimated values of spin gap and the ratio of hopping matrix elements t⊥/t‖ are found to be in fairly good agreement with the existing experimental results.     

The transition width and critical current density measurements on slow-cooled YBa2Cu3O7−x superconductor

It is shown that by adopting a very gradual programmed cooling procedure in oxygen environment one can obtain a sharp transition (ΔT _c⋍1 K) in YBa₂Cu₃O_7−x while retaining the high-T _c value (⋍105 K) of samples prepared by a semi-wet route. This is attributed to a maximum occupancy of oxygen at 0 1/2 0 sites and a near-perfect ordering of vacancies at 1/2 0 0 sites in the orthorhombic unit cell which maximizes the availability of conduction paths in the form of continuous CuO₄ chains. Critical current densities (J _c) of 204 A cm⁻² are obtained for bulk samples at 77 K. It is suggested that the intergrain coupling is weak and thus limits the transportJ _c-values.     

Magnetoresistance of the semiconducting spinelide Cu0.625Ga0.375Cr2Se4 having a low-temperature long-range magnetic order-spin glass transition

A study is reported of the dependence of magnetoresistance Δρ/ρ on the square of magnetization σ ² of the semiconducting spinelide Cu_0.625Ga_0.375Cr₂Se₄, which exhibits a low-temperature transition from long-range magnetic order (LRMO) to the spin glass (SG) state in strong magnetic fields. It is shown that at the freezing temperature T _f the Δρ/ρ(σ ²) relations change their slope, and that below T _f this slope is about one half that for T>T f. This finding, together with the earlier observation that the freezing temperature does not depend on the frequency of the ac magnetic field in which it was measured, suggests that the spin-glass phase consists of spins of individual Cr³⁺ ions, and that the SG-LRMO crossover is a phase transition. Fiz. Tverd. Tela (St. Petersburg) 40, 315–317 (February 1998)     

Mechanism of giant magnetoresistance in intermetallic compounds of rare-earth ions and actinides

Giant positive or negative magnetoresistance is calculated in a band model. The spectra of the band electrons in a two-sublattice antiferromagnetic intermetallic compound depend on the antiferromagnetism vector L(T,H). The metamagnetic transition to the ferromagnetic phase is accompanied by splitting with respect to the spin σ, displacement of the energy bands, and a decrease in the effective masses of the band electrons. This mechanism of giant negative magnetoresistance is also accompanied by an increase in the relaxation time τ_jσ. Scattering by chemical-bond fluctuations is considered as the main relaxation mechanism. Giant positive magnetoresistance results from a four-subband model of 4f and 5f intermetallic compounds. The electron effective masses m _jσ(J _jT ) of the (j,σ) bands increase with the mean angular momentum J _1T (T,H) of an ion in the jth sublattice of 4(5)f ions. The thermodynamics of such a four-sublattice model, the nonlinear magnetization and magnetoresistance curves, and the nonmonotonic dependence of the specific heat C _m(T,H) on the field H are calculated. Fiz. Tverd. Tela (St. Petersburg) 39, 1806–1814 (October 1997)     

Numerical study of the directed polymer in a 1 + 3 dimensional random medium

The directed polymer in a 1+3 dimensional random medium is known to present a disorder-induced phase transition. For a polymer of length L, the high temperature phase is characterized by a diffusive behavior for the end-point displacement R² ∼L and by free-energy fluctuations of order ΔF(L) ∼O(1). The low-temperature phase is characterized by an anomalous wandering exponent R²/L ∼L^ω and by free-energy fluctuations of order ΔF(L) ∼L^ω where ω∼0.18. In this paper, we first study the scaling behavior of various properties to localize the critical temperature T_c. Our results concerning R²/L and ΔF(L) point towards 0.76 < T_c ≤T₂=0.79, so our conclusion is that T_c is equal or very close to the upper bound T₂ derived by Derrida and coworkers (T₂ corresponds to the temperature above which the ratio remains finite as L ↦ ∞). We then present histograms for the free-energy, energy and entropy over disorder samples. For T ≫T_c, the free-energy distribution is found to be Gaussian. For T ≪T_c, the free-energy distribution coincides with the ground state energy distribution, in agreement with the zero-temperature fixed point picture. Moreover the entropy fluctuations are of order ΔS ∼L^1/2 and follow a Gaussian distribution, in agreement with the droplet predictions, where the free-energy term ΔF ∼L^ω is a near cancellation of energy and entropy contributions of order L^1/2.     

Manganese-doped ZnSiAs<Subscript>2</Subscript> chalcopyrite: A new advanced material for spintronics

A new spintronics material with the Curie temperature above room temperature, the ZnSiAs₂ chalcopyrite doped with 1 and 2 wt % Mn, is synthesized. The magnetization, electrical resistivity, magnetoresistance, and the Hall effect of these compositions are studied. The temperature dependence of the electrical resistivity follows a semiconducting pattern with an activation energy of 0.12–0.38 eV (in the temperature range 124 K ≤ T ≤ 263 K for both compositions). The hole mobility and concentration are 1.33, 2.13 cm²/V s and 2.2 × 10¹⁶, 8 × 10¹⁶ cm⁻³ at T = 293 K for the 1 and 2 wt % Mn compositions, respectively. The magnetoresistance of both compositions, including the region of the Curie point, does not exceed 0.4%. The temperature dependence of the magnetization M(T) of both compositions exhibits a complicated character; indeed, for T ≤ 15 K, it is characteristic of superparamagnets, while for T > 15 K, spontaneous magnetization appears which correspond to a decreased magnetic moment per formula unit as compared to that which would be observed upon complete ferromagnetic ordering of Mn²⁺ spins or antiferromagnetic ordering of spins of the Mn²⁺ and Mn³⁺ ions. Thus, for T > 15 K, it is a frustrated ferro- or ferrimagnet. It is found that, unlike the conventional superparamagnets, the cluster moment μ _c in these compositions depends on the magnetic field: ∼12000–20000μ_B for H = 0.1 kOe, ∼52–55μ_B for H = 11 kOe, and ∼8.6–11.0μ_B at H = 50 kOe for the compositions with 1 and 2 wt % Mn, respectively. The specific features of the magnetic properties are explained by the competition between the carrier-mediated exchange and superexchange interactions.     

Magnetism,exchange and crystal field parameters in the orbitally unquenched Ising antiferromagnet FePS3

FePS₃ is a layered antiferromagnet (T _N=123 K) with a marked Ising anisotropy in magnetic properties. The anisotropy arises from the combined effect of the trigonal distortion from octahedral symmetry and spin-orbit coupling on the orbitally degenerate⁵ T _2g ground state of the Fe²⁺ ion. The anisotropic paramagnetic susceptibilities are interpreted in terms of the zero field Hamiltonian, ℋ=Σ_i [δ(L _iz ² −2)+|λ|L _i .S _i ]−Σ _ij J _ij S _i .S _j . The crystal field trigonal distortion parameter Δ, the spin-orbit coupling λ and the isotropic Heisenberg exchange,J _ij, were evaluated from an analysis of the high temperature paramagnetic susceptibility data using the Correlated Effective Field (CEF) theory for many-body magnetism developed by Lines. Good agreement with experiment were obtained for Δ/k=215.5 K; λ/k=166.5 K;J _nn k=27.7 K; andJ _nnn k=−2.3 K. Using these values of the crystal field and exchange parameters the CEF predicts aT _N=122 K for FePS₃, which is remarkably close to the observed value of theT _N. The accuracy of the CEF approximation was also ascertained by comparing the calculated susceptibilities in the CEF with the experimental susceptibility for the isotropic Heisenberg layered antiferromagnet MnPS₃, for which the high temperature series expansion susceptibility is available.     

The magnetic phase diagram of La2−x Sr x CuQ4+y observed via111In PAC

We report perturbed angular correlation studies of¹¹¹In diffused into La_2−x Sr _x CuO_4+y . We determine the Néel temperature, T_N, as a function of x for y ≈ 0 and provide an empirical calibration of the charge defect concentration via the PAC linewidth.     

Zero‐field μ+SR study of the colossal magnetoresistance material La0.67Ca0.33MnO3

Zero‐field μ⁺SR and resistivity experiments on La_0.67Ca_0.33MnO₃ powder show that the ferromagnetic transition temperature (T_C=274\ K) and resistivity peak temperature coincide to within 1 K, about 10 K higher than T_C determined from the bulk magnetization. The sublattice magnetization \nu_μ(T) is well described for T ≤ T_C by (1-T/T_C)^β , where β =0.345 ± 0.015. Unusual relaxation dynamics suggest a wide distribution of Mn‐ion correlation times. These results are discussed in terms of the effects of polarons on the spin and charge dynamics. This revised version was published online in July 2006 with corrections to the Cover Date.