Critical temperature of metallic hydrogen at a pressure of 500 GPa

Phase transitions of the layered antiferromagnetic Ising model on a cubic lattice with allowance for intralayer next nearest neighbor interactions in the range of 0.0 ? r < 1.0 have been studied on the basis of the replica algorithm by the Monte Carlo method. The character of phase transitions has been analyzed on the basis of the histogram method and the Binder cumulant method. The phase diagram of the dependence of the critical temperature on the next nearest neighbor interaction has been constructed. It has been shown that a secondorder phase transition is observed in the interval of 0.0 ? r ? 0.5 and for the value r = 0.9 and a first-order phase transition is observed in the interval of 0.6 ? r < 0.8.     

Frustrated antiferromagnetism in the Sr<Subscript>2</Subscript>YRuO<Subscript>6</Subscript> double perovskite

The spins of Ru⁵⁺ ions in Sr₂YRuO₆ form a face-centered cubic lattice with antiferromagnetic nearest neighbor interaction J≈25 meV. The antiferromagnetic structure of the first type experimentally observed below the Néel temperature T _N =26 K corresponds to four frustrated spins of 12 nearest neighbors. In the Heisenberg model in the spin-wave approximation, the frustrations already cause instability of the antiferromagnetic state at T=0 K. This state is stabilized by weak anisotropy D or exchange interaction I with the next-nearest neighbors. Low D/J～I/J～10^?3 values correspond to the experimental T _N and sublattice magnetic moment values.     

A study of the critical properties of the Ising model on body-centered cubic lattice taking into account the interaction of next behind nearest neighbors

The replica Monte Carlo method has been used to investigate the critical behavior of a threedimensional antiferromagnetic Ising model on a body-centered cubic lattice, taking into account interactions of the adjacent behind neighbors. Investigations are carried out for the ratios of the values of exchange interactions behind the nearest and next nearest neighbors k = J ₂/J ₁ in the range of k ∈ [0.0, 1.0] with the step Δk = 0.1. In the framework of the theory of finite-dimensional scaling the static critical indices of heat capacity α, susceptibility γ, of the order parameter β, correlation radius ν, and also the Fisher index η are calculated. It is shown that the universality class of the critical behavior of this model is kept in the interval of k ∈ [0.0, 0.6]. It is established that a nonuniversal critical behavior is observed in the range k ∈ [0.8, 1.0].     

A multisublattice magnetic phase induced by external field in a singlet magnet

The theory of magnetization in a longitudinal magnetic field is developed for an easy-plane multisublattice antiferromagnet with a singlet ground state and a strong single-ion anisotropy exceeding the magnitude of exchange interaction. The magnetic-field-induced phase transition from the singlet (magnetically dis-ordered) state to a multisublattice antiferromagnetic state represents a displacive magnetic phase transition. At T=0, this transition proceeds continuously and belongs to second-order phase transitions, while at T ≠0, the behavior changes to jumplike and the process becomes the first-order phase transition.     

Extended s-wave pairing symmetry on the triangular lattice heavy fermion system

We investigate the pairing symmetry of the Kondo-Heisenberg model on triangular lattice, which is believed to capture the core competition of Kondo screening and local magnetic exchange interaction in heavy electron compounds. On the dominant background of the heavy fermion state, the introduction of the Heisenberg antiferromagnetic interaction (J _H ) leads to superconducting pairing instability. Depending on the strength of the interactions, it is found that the pairing symmetry favours an extended s-wave for small J _H and high conduction electron density but a chiral \(d_{x^2 - y^2 } + id_{xy}\)-wave for large J _H and low conduction electron density, which provides a phase diagram of pairing symmetry from the calculations of the ground-state energy. The transition between these two pairing symmetries is found to be first-order. Furthermore, we also analyze the phase diagram from the pairing strengths and find that the phase diagram obtained is qualitatively consistent with that based on the ground-state energy. In addition, we propose an effective single-band BCS Hamiltonian, which is able to describe the low-energy thermodynamic behaviors of the heavy fermion superconducting states. These results further deepen the understanding of the antiferromagnetic interaction which results in a geometric frustration for the model studied. Our work may provide a possible scenario to understand the pairing symmetry of the heavy fermion superconductivity, which is one of active issues in very recent years.     

Phase transitions in a two-dimensional antiferromagnetic Potts model on a triangular lattice with next-nearest neighbor interactions

Phase transitions (PTs) and frustrations in two-dimensional structures described by a three-vertex antiferromagnetic Potts model on a triangular lattice are investigated by the Monte Carlo method with regard to nearest and next-nearest neighbors with interaction constants J₁ and J₂, respectively. PTs in these models are analyzed for the ratio r = J₂/J₁ of next-nearest to nearest exchange interaction constants in the interval |r| = 0–1.0. On the basis of the analysis of the low-temperature entropy, the density of states function of the system, and the fourth-order Binder cumulants, it is shown that a Potts model with interaction constants J₁ < 0 and J₂ < 0 exhibits a first-order PT in the range of 0 ? r < 0.2, whereas, in the interval 0.2 ? r ? 1.0, frustrations arise in the system. At the same time, for J₁ > 0 and J₂ < 0, frustrations arise in the range 0.5 < |r| < 1.0, while, in the interval 0 ? |r| ? 1/3, the model exhibits a second-order PT.     

Influence of frustrations on the thermodynamic properties of the low-dimensional Potts model studied by computer simulation

Influence of disorder in the form of frustration on the thermodynamic behavior of a two-dimensional three-vertex Potts model has been studied by the Monte Carlo method, taking into account the nearest and next-nearest neighbors. Systems with linear sizes of L × L = N (L = 9–48) on a triangular lattice have been considered. It has been shown that in the case of J₁ > 0 and J₂ < 0 frustrations appear in the spin system within the interval of 0.5 ≤ |r| ≤ 1.0. The model undergoes a phase transition outside this region.     

Spin-glass-like transition in the majority-vote model with anticonformists

Majority-vote model on scale-free networks and random graphs is investigated in which a randomly chosen fraction p of agents (called anticonformists) follows an antiferromagnetic update rule, i.e., they assume, with probability governed by a parameter q (0 < q < 1∕2), the opinion opposite to that of the majority of their neighbors, while the remaining 1 ? p fraction of agents (conformists) follows the usual ferromagnetic update rule assuming, with probability governed by the same parameter q, the opinion in accordance with that of the majority of their neighbors. For p = 1 it is shown by Monte Carlo simulations and using the Binder cumulants method that for decreasing q the model undergoes second-order phase transition from a disordered (paramagnetic) state to a spin-glass-like state, characterized by a non-zero value of the spin-glass order parameter measuring the overlap of agents’ opinions in two replicas of the system, and simultaneously by the magnetization close to zero. In the case of the model on scale-free networks the critical value of the parameter q weakly depends on the details of the degree distribution. As p is decreased, the critical value of q falls quickly to zero and only the disordered phase is observed. On the other hand, for p close to zero for decreasing q the usual ferromagnetic transition is observed.     

Quantum spin liquid in the FCC lattice

The properties of the spin system in the FCC lattice described by the Heisenberg model (s=1/2) with antiferromagnetic interactions between the nearest neighbors were studied. It was shown within the framework of spin-wave theory that long-range antiferromagnetic order was absent because of frustration of exchange coupling and transverse quantum spin fluctuations. The system was in the quantum spin liquid state. A method for describing it within linear second-order theory with self-consistently calculated parameters was suggested. It was proved that the ground spin liquid state was singlet. The thermodynamic properties of the spin liquid in the whole temperature range and the character of spatial spin correlations, which had alternating signs and a finite correlation length, were determined. The theory was constructed based on the method of two-time Green temperature functions.     

High-pressure magnetic properties and <Emphasis Type="Italic">P-T</Emphasis> phase diagram of iron borate

The high-pressure magnetic states of iron borate ⁵⁷FeBO₃ single-crystal and powder samples have been investigated in diamond anvil cells by nuclear forward scattering (NFS) of synchrotron radiation at different temperatures. In the low-pressure (0 < P < 46 GPa) antiferromagnetic phase, an increase of the Neél temperature from 350 to 595 K induced by pressure was found. At pressures 46–49 GPa, a transition from the antiferromagnetic to a new magnetic state with a weak magnetic moment (magnetic collapse) was discovered. It is attributed to the electronic transition in Fe³⁺ ions from the high-spin 3d⁵ (S = 5/2, ⁶A_1g) to the low-spin (S = 1/2, ²T_2g) state (spin crossover) due to the insulator-semiconductor-type transition with extensive suppression of strong d-d electron correlations. At low temperatures, NFS spectra of the high-pressure phase indicate magnetic correlations in the low-spin system with a magnetic ordering temperature of about 50 K. A tentative magnetic P-T phase diagram of FeBO₃ is proposed. An important feature of this diagram is the presence of two triple points where magnetic and paramagnetic phases of the high-spin and low-spin states coexist.     

Abrupt changes in the temperature dependence of the ESR linewidth of La<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript> Ca<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript> MnO<Subscript>3</Subscript> single crystals

The temperature dependence of the ESR linewidth in La_{1 ? x} Ca _x MnO₃ single crystals with various dopant concentrations (x = 0.18, 0.2, 0.22, 0.25, and 0.3) has been studied. An abrupt decrease in the ESR linewidth has been observed in the samples with a dopant concentration of x = 0.18 and 0.2 near the respective temperatures T _OO′ ≈ 260 and 240 K of the orthorhombic to pseudocubic structural phase transition. The abrupt decrease in the ESR linewidth by approximately 180 Oe has been also observed in the whole temperature range when the concentration is increased from x = 0.2 to x = 0.22. The formula for the fourth moment of the ESR line has been derived including both crystal fields and isotropic exchange interactions and taking into account the difference between the exchange coupling of a spin to its nearest in-plane and out-of-plane neighbors. The formula has been used to estimate the parameter D of the crystalline field on Mn³⁺ ions.     

Transitions between À and 0 states in superconductor-ferromagnet-superconductor junctions

Experimental and theoretical study of superconductor-ferromagnet-superconductor junctions (SFS junctions) showed that, in a certain range of parameters (e.g., the length of the ferromagnet d_F, the exchange field E_ex), the ground state of the SFS junction corresponds to a superconducting phase difference π or 0. The phase diagram of an SFS junction with respect to π and 0 states is investigated in this letter in E_ex, d_F, T space. It is shown that the phase diagram is very sensitive to the geometry of the system, in particular, to the amount of disorder in the junction.     

Electronic structures of ternary iron arsenides <Emphasis Type="Italic">A</Emphasis>Fe<Subscript>2</Subscript>As<Subscript>2</Subscript> (<Emphasis Type="Italic">A</Emphasis> = Ba,Ca, or Sr)

We have studied the electronic and magnetic structures of the ternary iron arsenides AFe₂As₂ (A = Ba, Ca, or Sr) using the first-principles density functional theory. The ground states of these compounds are in a collinear antiferromagnetic order, resulting from the interplay between the nearest and the next-nearest neighbor superexchange antiferromagnetic interactions bridged by As 4p orbitals. The correction from the spin-orbit interaction to the electronic band structure is given. The pressure can reduce dramatically the magnetic moment and diminish the collinear antiferromagnetic order. Based on the calculations, we propose that the low energy dynamics of these materials can be described effectively by a t-J _H -J ₁-J ₂-type model [2008, arXiv: 0806.3526v2].     

Phase Transitions in the Antiferromagnetic Heisenberg Model on a Body-Centered Cubic Lattice with Allowance for the Next-Nearest-Neighbor Interactions

Based on the replica exchange Monte Carlo algorithm and histogram analysis of data, the phase transitions in the three-dimensional antiferromagnetic Heisenberg model on a body-centered cubic lattice with allowance for the next-nearest-neighbor interaction are studied. The study is performed for the nextnearest- neighbor exchange interaction ratio of r = 1. It is established that, for this model, the transition from the antiferromagnetic to paramagnetic phase is a first-order phase transition.     

Pressure induced antiferromagnet-ferromagnet transition in La<Subscript>0.5</Subscript>Ba<Subscript>0.5</Subscript>CoO<Subscript>2.8</Subscript> cobaltite

The anion deficient cobaltite La_0.5Ba_0.5CoO_2.8 with theformal cobalt valence state close to 3+ has been studied as function of pressure up to6.5 GPa at different temperatures by neutron powder diffraction. At ambient pressure thecrystal structure of this compound has cubic symmetry (space group Pm3?m) and is found to become antiferromagnetic withT _N close to 250 K. Applied pressure inducesa gradual transition from the antiferromagnetic into a ferromagnetic state through a mixedmagnetic state. The transition is not accompanied by obvious changes in the macroscopiccrystal symmetry. It is suggested that the magnetic ground state strongly depends on theunit cell volume and that the transition is associated with a spin state crossover of thecobalt ions whereas the formal Co³⁺/Co⁴⁺ ratio is less importantthan expected following the double exchange scenario for the appearance offerromagnetism.     

Anomalies in the magnetic and magnetoelastic properties of Sm<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>Sr<Subscript>x</Subscript>MnO<Subscript>3</Subscript> single crystals (<Emphasis Type="Italic">x</Emphasis> ∼ 0.5) at phase transitions

By studying the magnetic and magnetoelastic properties, it is established that, as the temperature is lowered, Sm_1?xSr_xMnO₃ single crystals (x=0.5, 0.55) undergo spontaneous phase transitions from the paramagnetic to a local charge-ordered state at T_co=220 K and to an A-type antiferromagnetic state at T_N=175 K. It is shown that strong magnetic fields (H_cr ～ 200 kOe) break up the antiferromagnetic order and charge ordering and drive a phase transition to a conducting ferromagnetic state. H-T phase diagrams are constructed for single crystals with x=0.5 and 0.55.     

Strong short-range magnetic order in a frustrated FCC lattice and its possible role in the iron structural transformation

The magnetic properties of a frustrated Heisenberg antiferromagnet with the fcc lattice and exchange interaction between the nearest (J ₁) and next-to-nearest (J ₂) neighbors are studied in this work. For the collinear phase with the wave vector Q= (π,π,π), the equations of the self-consistent spin-wave theory are obtained and solved numerically for the sublattice magnetization and the averaged short-range order parameter. The dependence of the Néel temperatureT _N on the ratio J ₂/J ₁ is found. It is shown that, in the case of a sufficiently strong frustration, strong short-range magnetic order persists over a wide temperature range above T _N. The possible application of this result to the mechanism of structural phase transition from α-Fe to γ-Fe is considered.     

Asymmetric Anderson model and spin excitations in the Kondo insulator YbB<Subscript>12</Subscript>

A cluster problem is analyzed as an example demonstrating that the observed three-mode behavior of spin-triplet excitations in YbB₁₂ can be described by the asymmetric Anderson model with insulating singlet ground state. In the case of an infinite system, it is argued that the behavior of the f subsystem can be analyzed by using an effective Hamiltonian ? _J with direct antiferromagnetic f-f exchange interaction. The spin excitation spectrum is shown to have a minimum at the antiferromagnetic vector, as observed experimentally. A distinctive feature of the analysis is the use of singlet and triplet basis operators.     

Periodic Striped Ground States in Ising Models with Competing Interactions

We consider Ising models in two and three dimensions, with short range ferromagnetic and long range, power-law decaying, antiferromagnetic interactions. We let J be the ratio between the strength of the ferromagnetic to antiferromagnetic interactions. The competition between these two kinds of interactions induces the system to form domains of minus spins in a background of plus spins, or vice versa. If the decay exponent p of the long range interaction is larger than d + 1, with d the space dimension, this happens for all values of J smaller than a critical value J_c(p), beyond which the ground state is homogeneous. In this paper, we give a characterization of the infinite volume ground states of the system, for p > 2d and J in a left neighborhood of J_c(p). In particular, we prove that the quasi-one-dimensional states consisting of infinite stripes (d = 2) or slabs (d = 3), all of the same optimal width and orientation, and alternating magnetization, are infinite volume ground states. Our proof is based on localization bounds combined with reflection positivity.     

A real space description of magnetic field induced melting in the charge ordered manganites: I. The clean limit

We study the melting of charge order in the half doped manganites using a model thatincorporates double exchange, antiferromagnetic superexchange, and Jahn-Teller couplingbetween electrons and phonons. We primarily use a real space Monte Carlo technique tostudy the phase diagram in terms of applied field (h) and temperature(T),exploring the melting of charge order with increasing h and its recovery ondecreasing h.We observe hysteresis in this response, and discover that the “field melted” highconductance state can be spatially inhomogeneous even without extrinsic disorder. Thehysteretic response plays out in the background of field driven equilibrium phaseseparation. Our results, exploring h, T, and the electronic parameter space, are backedup by analysis of simpler limiting cases and a Landau framework for the field response.This paper focuses on our results in the “clean” systems, a companion paper studies theeffect of cation disorder on the melting phenomena.