Mixed spin- and spin- Ising models with random nearest-neighbour interactions

Using the effective field theory with correlations, we study mixed spin?3/2 and spin?1/2 Ising models with random bonds and crystal-field interactions on the honeycomb lattice. The nearest-neighbour couplings J_ij are taken as random variables with distribution P(J_ij) = pδ(J_ij ? J)+(1 ? p)δ(J_ij ? αJ), where J > 0 and |α| ≤ 1. In a certain range of negative values of α, the phase diagrams exhibit re-entrant behaviour. In detail, we investigate separately two kinds of disorder: Bond dilution (α = 0) and random ±J interactions (α = ?1). In both cases, the influence of the an-isotropy on the phase diagrams shows some new outstanding features.     

Phase diagram of the two-dimensional Ising model with random competing interactions

An Ising model with ferromagnetic nearest-neighbor interactions J₁ (J₁>0) and random next-nearest-neighbor interactions [+J₂ with probability p and −J₂ with probability (1−p); J₂>0] is studied within the framework of an effective-field theory based on the differential-operator technique. The order parameters are calculated, considering finite clusters with n=1,2, and 4 spins, using the standard approximation of neglecting correlations. A phase diagram is obtained in the plane temperature versus p, for the particular case J₁=J₂, showing both superantiferromagnetic (low p) and ferromagnetic (higher values of p) orderings at low temperatures.     

EPR measurements of weak exchange interactions coupling unpaired spins in model compounds

I review electron paramagnetic resonance (EPR) measurements performed to evaluate very weak exchange interactions (defined as ?_ex(i, j) = ?J _ij S _i S _j , with 10^?3 cm^?1<|J _ij|<1 cm^?1) between unpaired spins, transmitted through long and weak chemical pathways typical of protein structures. They are performed in appropriate model compounds, mainly copper derivatives of amino acids and peptides, making use of the phenomenon of exchange narrowing and collapse of the resonances. I describe the theoretical basis and the implementations of the method to different situations, including selected experimental values of the exchange couplingsJ between metal centers, and briefly discuss correlations betweenJ and the structure of the paths. Results obtained in relatively simple EPR experiments performed at room temperature in single-crystal samples are compared with those obtained from thermodynamic magnetic measurements having higher experimental difficulties. The experimental information allows describing the role of molecular segments typical of biomolecules (H bonds, aromatic ring stacking, cation-π contacts, etc.) in the transmission of the exchange interaction. The values ofJ obtained in some model compounds are compared with those obtained in proteins to conclude that the magnitudes of the exchange interactions are useful to characterize long and weak biologically relevant chemical pathways. One observes that these exchange couplings are weakly dependent on the nature of the unpaired spins and strongly dependent on the chemical pathway. Thus, measurements of exchange couplings in model compounds may provide useful information about biological function, particularly about electron transfer in proteins.     

Phase transition in Ising, XY and Heisenberg magnetic films

The phase transition and magnetic properties of a ferromagnet spin-S, a disordered diluted thin and semi-infinite film with a face-centered cubic lattice are investigated using the high-temperature series expansions technique extrapolated with Padé approximants method for Heisenberg, XY and Ising models. The reduced critical temperature of the system τ_c is studied as function of the thickness of the thin film and the exchange interactions in the bulk, and within the surfaces J_b, J_s and J_⊥, respectively. It is found that τ_c increases with the exchange interactions of surface. The magnetic phase diagrams (τ_c versus the dilution x) and the percolation threshold are obtained. The shifts of the critical temperatures T_c(l) from the bulk value (T_c(∞)/T_c(l) − 1) can be described by a power law l^−λ, where λ = 1/υ is the inverse of the correlation length exponent.     

Phase diagram of the Ising antiferromagnet with nearest-neighbor and next-nearest-neighbor interactions on a square lattice

The phase diagram of the Ising model in the presence of nearest-neighbor (J₁) and next-nearest-neighbor (J₂) interactions on a square lattice is studied within the framework of the differential operator technique. The Hamiltonian is solved by effective-field theory in finite cluster (we have chosen N=4 spins). We have proposed a functional for the free energy (similar to Landau expansion) to obtain the phase diagram in the (T,α) space (α=J₂/J₁), where the transition line from the superantiferromagnetic (SAF) to the paramagnetic (P) phase is of first-order in the range 1/2<α<0.95 in contrast to previous study of CVM (Cluster Variational Method) that predict first-order transition for α=1.0. Our results for α=1.0 are in accordance with MC (Monte Carlo) simulations, that predict a second-order transition.     

The random-field Ising model with asymmetric bimodal probability distribution

The Ising model, in the presence of a random field, is investigated within the mean-field approximation based on Landau expansion. The random field is drawn from the bimodal probability distribution P(h)=pδ(h−h₀)+(1−p)δ(h+h₀), where the probability p assumes any value within the interval [0,1], asymmetric distribution. The prevailing transitions are of second-order but, for some values of p and h₀, first-order phase transitions take place for smaller temperatures and higher h₀, thus confirming the existence of a tricritical point. Also, the possible reentrant phenomena in the phase diagram (T−h₀ plane) occur for appropriate values of p and h₀. Using the variational principle, we determine the equilibrium equation for magnetization and solve it for both transitions and at the tricritical point in order to determine the magnetization profile with respect to h₀.     

Some properties of random Ising models

We consider an Ising model with random magnetic fieldh _i and random nearest-neighbor couplingsJ _ij . The random variablesh _i andJ _ij are independent and identically distributed with a nice enough distribution, e.g., Gaussian. We will prove that (i) at high temperature, infinite volume correlation functions are independent on the boundary conditions and decay exponentially fast with probability 1 and (ii) for any temperature with sufficiently strong magnetic field the correlation functions are again independent on the boundary conditions and decay exponentially fast with probability 1. We also prove that the averaged magnetization of the ground state configuration of the one-dimensional Ising model with random magnetic field is zero, no matter how small is the variance of theh _i .     

Ground state phase diagrams and the tricritical behaviors of Ising metamagnet in both external longitudinal and transverse field

The ground state magnetic properties of a two-sublattice Ising metamegnet in both external longitudinal and transverse fields are studied within the mean-field approach. A parameter α=(Z₁J₁+Z₂J₂)/(Z₁J₁−Z₂J₂) which reflects the strength ratio of spin coupling in the plane and in adjacent planes is introduced. The ground state energy, the longitudinal staggered magnetization, the longitudinal total magnetization and the transverse total magnetization are calculated. The ground state phase diagrams in Ω−h and Ω−α plane are presented. The results show that when Ω is given, the longitudinal critical magnetic field increases when α decreases; the phase transition changes always from first order to second order with increase in the longitudinal magnetic field h or decrease in α. The reentrant phenomenon occurs in the range α?−0.66, Ω?0.21, h?0.78.     

Critical behavior of the 3D Ising model on a poissonian random lattice

The single-cluster Monte Carlo algorithm and the reweighting technique are used to simulate the 3D ferromagnetic Ising model on 3D Voronoi-Delauney lattices. It is assumed that the coupling factor J varies with the distance r between the first neighbors as J(r)∝e^−ar, with a≥0. The critical exponents γ/ν, β/ν, and ν are calculated, and according to the present estimates for the critical exponents, we argue that this random system belongs to the same universality class of the pure 3D ferromagnetic Ising model.     

Magnetic phase diagram of diluted spinel Zn1−xCuxCr2Se4 system

By using mean field theory, we have evaluated the nearest-neighbour and the next-neighbour super-exchange J₁(x) and J₂(x), respectively, for Zn_1−xCu_xCr₂Se₄ in the range 0?x?1. The intraplanar and the interplanar interactions are deduced. High-temperature series expansions are derived for the magnetic susceptibility and two-spin correlation functions for a Heisenberg ferromagnetic model on the B-spinel lattice. The calculations are developed in the framework of the random phase approximation. The magnetic phase diagram is deduced. A spin glass phase is predicted for intermediate range of concentration. The results are comparable with those obtained by magnetic measurements. The critical exponents associated with the magnetic susceptibility (γ) and the correlation lengths (ν) have been deduced. The values are comparable to those of the 3D Heisenberg model, and are insensitive to the dilution x.     

Multipole mixing ratios of transitions in Te

Gamma-gamma directional correlation measurements were made on nine transitions in ¹²⁴Te with a NaI(Tl)-Ge(Li) detector arrangement and multichannel analysis. The multipole mixing ratios obtained were δ(646) = 0.000±0.001, δ(714) = 1.5_−0.3^+0.6, δ(723) = −3.3±0.2, δ(1437) = 3.7_−2.0^+2.7, δ(1489) = −3.4_−1.5^+0.9, δ(968) = −0.03_−0.05^+0.06, δ(1368) = −0.045±0.090, δ(1045) = 0.041_−0.041^+0.047, δ(1691) = −0.02±0.01, and δ(2091) = 0.00_−0.03^+0.02. The first δ is M3/E2, the next three are E2/M1, and the last five are M2/E1. The retardation (a factor of approximately 50) of the crossover to cascade transitions from the 2039 keV, third 2⁺ level to the second and first 2⁺ levels is essentially the same for both the M1 and E2 components. In addition, spin and parity assignments of 2⁺ were made for the 2039 and 2092 keV levels.     

The random field Ising model with an asymmetric trimodal probability distribution

The Ising model in the presence of a random field is investigated within the mean field approximation based on Landau expansion. The random field is drawn from the trimodal probability distribution P(h_i)=pδ(h_i−h₀)+qδ(h_i+h₀)+rδ(h_i), where the probabilities p,q,r take on values within the interval [0,1] consistent with the constraint p+q+r=1 (asymmetric distribution), h_i is the random field variable and h₀ the respective strength. This probability distribution is an extension of the bimodal one allowing for the existence in the lattice of non magnetic particles or vacant sites. The current random field Ising system displays second order phase transitions, which, for some values of p,q and h₀, are followed by first order phase transitions, thus confirming the existence of a tricritical point and in some cases two tricritical points. Also, reentrance can be seen for appropriate ranges of the aforementioned variables. Using the variational principle, we determine the equilibrium equation for magnetization, solve it for both transitions and at the tricritical point in order to determine the magnetization profile with respect to h₀.     

Dynamics of the one-dimensional random transverse Ising model with next-nearest-neighbor interactions

The dynamics of the one-dimensional random transverse Ising model with both nearest-neighbor (NN) and next-nearest-neighbor (NNN) interactions is studied in the high-temperature limit by the method of recurrence relations. Both the time-dependent transverse correlation function and the corresponding spectral density are calculated for two typical disordered states. We find that for the case of bimodal disorder the dynamics of the system undergoes a crossover from a collective-mode behavior to a central-peak one and for the case of Gaussian disorder the dynamics is complex. For both cases, it is found that the central-peak behavior becomes more obvious and the collective-mode behavior becomes weaker as K_i increase, especially when K_i>J_i/2 (J_i and K_i are the exchange couplings of the NN and NNN interactions, respectively). However, the effects are small when the NNN interactions are weak (K_i<J_i/2).     

Discontinuities in disordered systems

The entropyS _T (j) of a two-dimensional Ising spin glass with an independent distribution of the random couplingp(J)=x·δ(J+1)+(1-x)δ(J-j) is discontinuous for temperatureT=0 and rationalj>0 and continuous elsewhere. The integrated density of frequenciesk _M (ω ²) of an one-dimensional chain of coupled oscillators with an independent distribution of the random massesp(m)=x·δ(m-1)+(1-x)δ(m-M) has the same behaviour, whereω ² corresponds toj andM to 1/T. The discontinuity points for infiniteM are, for sufficiently large but finiteM, special, frequencies, wherek _M (ω ²) has a Lifshitz singularity.     

Phase diagrams of competing quadruple and binary interactions on Cayley tree-like lattice: Triangular Chandelier

We study the phase diagrams for the Ising model on a Cayley tree-like lattice, called Triangular Chandelier, with competing nearest-neighbour interactions J₁, prolonged next-nearest-neighbour interactions J_p and one-level next-nearest-neighbour quadruple interactions J_l1. The phase diagrams display the multicritical points (the Lifshitz points) that are at nonzero temperature and many modulated phases. To perform this study, an iterative scheme similar to that appearing in real space renormalization group frameworks is established; it recovers, as particular case, previous work of Vannimenus extension result given by Ganikhodjaev and U?uz for k=3. At vanishing temperature, the phase diagram is fully determined for all values and signs of J₁,J_p and J_l1. At finite temperatures several interesting features are exhibited for typical values of J_l1/J₁ and −J_p/J₁.     

The vibrational spectrum of thiazole between 600 and 1400 cm revisited: A combined high-resolution infrared and theoretical study

The Fourier transform infrared gas-phase spectrum of thiazole, C₃H₃NS, has been recorded in the 600-1400 cm⁻¹ wavenumber region with a resolution around 0.0030 cm⁻¹. Nine fundamental bands (ν₅(A′) to ν₁₁(A′), ν₁₅(A″), and ν₁₆(A″)) are analysed employing the Watson model. Ground-state rotational and quartic centrifugal distortion constants as well as upper state spectroscopic constants have been obtained from the fits. A detailed analysis of perturbations identified in the ν₁₁(A′) band at 866.5 cm⁻¹ enables a definitive location of the very weak ν₁₀(A′) and ν₁₄(A″) bands at 879.3 and 888.7 cm⁻¹, respectively. The three levels are analysed simultaneously by a model including Coriolis resonance using an ab initio predicted first order c-Coriolis coupling constant; second and higher order Coriolis parameters are determined. Qualitative explanations in terms of Coriolis resonances are given for a number of crossings observed in ν₅(A′), ν₆(A′), and ν₇(A′) at 1383.7, 1325.8, and 1240.5 cm⁻¹, respectively. The rotational constants, anharmonic frequencies, and vibration-rotation constants (alphas, ) calculated by quantum chemical calculations using a cc-pVTZ and TZ2P basis with B3LYP methodology, have been compared with the present experimental data. The rotation constant differences for each vibrational state, from the ground state values, are closer to experiment from the TZ2P calculations relative to those using cc-pVTZ. The values for Δ_J, Δ_JK, Δ_K, δ_J, and δ_K are close to experiment with both basis sets.     

The magnetic state of diamagnetically diluted antiferromagnetic cobalt and nickel monoxide

The nearest neighbour J₁(x) and the next-neighbour super-exchange J₂(x) interactions are evaluated by using the mean field theory for Mg1−xBxO (B=Co and Ni) systems. The magnetic energy E(x) is obtained. A magnetic phase diagram of the Mg1−xBxO (B=Co and Ni) solid solutions with 0?x?1 is drawn by high-temperature series expansions (HTSE) combined with the Padé approximants method (PA). The critical exponents associated with the magnetic susceptibility (γ) and with the correlation length (ν) are deduced in order phase.     

Critical properties of the antiferromagnetic layered Ising model on a cubic lattice with competing interactions

The critical properties of the antiferromagnetic layered Ising model on a cubic lattice with regard to the nearest-neighbor and next-nearest-neighbor interactions are investigated by the Monte Carlo method using the replica algorithm. The investigations are carried out for the ratios of exchange nearest-neighbor and next-nearest-neighbor interactions r = J ₂/J ₁ in the range of 0 ≤ r ≤ 1.0. Using the finite-size scaling theory, the static critical indices of specific heat α, order parameter β, susceptibility γ, correlation radius ν, and Fisher index η are calculated. It is shown that the universality class of the critical behavior of this model is retained in the range of 0 ≤ r ≤ 0.4. It is established that the change in the next-nearest-neighbor interaction value in this model in the range of r > 0.8 leads to the same universality class as the three-dimensional fully frustrated Ising model on the cubic lattice.

     

Interatomic exchange in Mn-doped III-V semiconductors

Density-functional calculations are used to determine the electronic structure and magnetic properties of dilute magnetic semiconductors with the composition X_1−xMn_xN (X=Al, Ga, In, x=6.25% and 12.5%). Emphasis is on the interatomic exchange as a function of the Mn-Mn distance. Our superlattice calculations show that the Mn dopants are spin-polarized with a half-metallic band gap and a magnetic moment of 4 μ_B per Mn atom at x=6.25 and 12.5%. The Mn (3d) bands lie in the band gap but partially hybridize with valence band or N 2p electrons, depending on the group-III element and on the spin direction. To calculate the exchange interaction parameters J_ij, we have used a Green-function approach. The interaction between Mn atoms extends over several interatomic interactions and is mediated by nitrogen (2p) electrons. The exchange is always ferromagnetic and largest for the first nearest neighbors, but substantial ferromagnetic interactions persist over Mn-Mn distances up to sixth nearest neighbors in the considered supercell.     

Reentrant transitions in the van Hemmen model of a spin glass

The van Hemmen model of a spin glass, which is an Ising model with random couplings J_ij between sites i and j equal to J₀ + J(ξ_iη_j + ξ_jη_i), where (ξ_i, η_i) are independent, identically distributed random variables, is studied in the pair approximation of the cluster variation method. For the family of probability distributions (1 − p)δ(ξ_i − a) + pδ(ξ_i) + (1 − p)δ(ξ_i + a), where p is varied, phase diagrams are constructed. They are qualitatively different from the mean-field phase diagrams and display a competition between tendencies towards spin-glass and towards ferromagnetic ordering, which results in reentrant transitions. It is argued that the observed effects are not accidental but are borne by the competition of bonds of the underlying lattice system.