Electrons with alternating on-site and correlated hopping interactions

The 1 D one-band Hubbard model with different repulsive on-site interactions on even (U+V > 0) and odd (U-V > 0) sites, supplemented by the correlated-hopping term (t* > 0), describing the modification of the electron hopping by the presence of other particles on the sites, is considered as a 1 D model for CuO systems. The ground state phase diagram is studied within the framework of the bosonization technique and renormalization group analysis valid for weak coupling. Depending on the choice of model parameters, the following sequences of phase transitions with increasing bandfilling occur: 1) metal-insulator-metal (for t* ? U/4); 2) metal-insulator-metal-superconductor $ ({\rm for}U/4 < t * \le U/\sqrt 8);3) $metal-superconductor-metal-insulator-metal-superconductor $ ({\rm for}U/\sqrt 8 \le t * < (U + V)/\sqrt 8){\rm and}4) $metal-superconductor $ ({\rm for}(U + V)/\sqrt 8 \le t*) $.     

Ferromagnetism of manganese compounds

The possibility of ferromagnetic instability in a system with hopping between manganese cations and oxygen anions has been investigated on the basis of the concept of strong electron-electron interaction in one unit cell. A phase diagram for ferromagnetic ordering as a function of the filling factors of the 2p ⁶-shell of oxygen (n _p ) and 3t ₆ ^g -shell of manganese (n _t ) has been constructed. Zh. éksp. Teor. Fiz. 113, 1101–1111 (March 1998)     

Asymmetry in the nuclear magnetic shielding tensor

The applicability of Green's function (GF) and Feynman path-integral quantum Monte Carlo (QMC) methods for the simulation of cyclic networks with (4n + 2) and 4n (n = 1, 2, 3, …) electrons is analysed. Both QMC techniques are employed in simulations on the basis of the simple Hückel Hamiltonian which is exclusively defined by nearest-neighbour hopping elements. In addition we have used the Pariser-Parr-Pople (PPP) Hamiltonian to perform GF QMC simulations. The electronic energies E derived by the QMC methods are compared either with Hückel molecular orbital (HMO) results or exact configuration interaction data where (π) electronic correlations are fully taken into account. A sign problem occurs in QMC simulations of 4n annulenes. This leads to an error in the total energy in the standard formulations of the employed QMC techniques, which is enhanced with decreasing ring size. A simple modification in the QMC formalisms is suggested to avoid the numerical uncertainties caused by the sign problem in 4n annulenes. Renormalization of the kinetic hopping integrals t by t cos (π/M) with M abbreviating the number of atomic sites leads to ground state energies as well as any other quantity close to the values derived by conventional diagonalization techniques. Substitution of t against t cos (π/M) conserves a common sign of all matrix elements containing the hopping. The occurrence of negative probabilities, which lead to numerical problems in the QMC simulations, is thereby prevented. The transformation suggested in 4n rings has a formal connection to so-called Möbius rings.     

Phase diagram of the extended hubbard model with pair hopping interaction

A one-dimensional model of interacting electrons with on-site U, nearest-neighbor V, and pair-hopping interaction W is studied at half-filling using the continuum limit field theory approach. The ground state phase diagram is obtained for a wide range of coupling constants. In addition to the insulating spin-density wave (SDW) and charge-density wave (CDW) phases for large U and V, respectively, we identify a bond-charge-density-wave (BCDW) phase W < 0, | U - 2V| < | 2W| and a bond-spin-density-wave (BSDW) for W > 0, | U - 2V| < W. The possibility of bond-located ordering results from the site-off-diagonal nature of the pair-hopping term and is a special feature of the half-filled band case. The BCDW phase corresponding to an enhanced Peierls instability in the system. The BdSDW is an unconventional insulating magnetic phase, characterized by a gapless spin excitation spectrum and a staggered magnetization located on bonds between sites. The general ground state phase diagram including insulating, metallic, and superconducting phases is discussed. A transition to the η-superconducting phase at | U - 2V| ≪ 2t?W is briefly discussed. Received 20 February 2002 / Received in final form 11 April 2002 Published online 19 July 2002     

Zero temperature phase diagram of a small metallic junction

We discuss the phase diagram for a metal tunnel junction with quasiparticle dissipation. We present some evidences of aT=0 phase transition induced by dissipation, by means of Monte Carlo simulation and studying the problem by means of a selfconsistent harmonic approximation. When the nominal conductance of the junctioin is large the predictions of the spin wave theory turn out to be correct and the algebraic decay of correlations implies quasi-long range order (phase with infinite susceptibility), this situation corresponds to the absence of a Coulomb blockade voltage threshold. The critical value of the nominal junction resistance is estimated to beR _t 0.6 k.     

Phase diagram of a surface superconductor in parallel magnetic field

The universal phase diagram of a 2D surface superconductor with generic Rashba interaction in a parallel magnetic field is found. In addition to the uniform BCS state, we find two inhomogeneous superconductive states, the stripe phase with Δ (r) ∝ cos(Qr) at high magnetic fields, and a new “helical” phase with Δ(r) ∝ exp(iQr) which intervenes between the BCS state and stripe phase at an intermediate magnetic field and temperature. We prove that the ground state for helical phase carries no current.     

Experimental evidence of dipolar interaction in bilayer nanocomposite magnets

We use magnetic thin film hard/non/soft-magnetic trilayer systems to probe the nature of the hard–soft phase interaction and the role played by dipolar fields in one-dimensional (d) magnetic systems. We have systematically investigated six wedge samples where the thickness of a Cu spacer layer (t _Cu) was gradually changed to create a varying interfacial effect on the interaction between a CoPt hard layer and a Fe soft layer. Magneto-optical Kerr effect was used to obtain the magnetization loops at 28 points on each sample, and the nucleation field (H _N ) as a function of t _Cu was employed to characterize the layer interaction as a function of t _Cu. H _N (t _Cu) show a RKKY oscillatory behavior in addition to a non-negligible dipolar contribution, which had an exponential dependence. The dipolar term, which cannot be always neglected, is affected by the interface roughness and also by the CoPt crystallinity. Therefore, we cannot always consider exchange coupling to be the dominant interaction in one-d hard–soft magnetic bilayer systems, particularly, during magnetic reversal.     

Numerical study of the mixed spin-1 and spin-5/2 BEG model on the Bethe lattice

The mixed spin-1 and spin- \frac52\frac{5}{2} ferromagnetic Ising model with bilinear (J) and biquadratic (K) nearest-neighbor exchange interactions and a single-ion potential or crystal-field interaction (D) is studied on the Bethe lattice by means of exact recursion equations. First, the phase diagram of the system at zero temperature is obtained in the (D/Jq, K/Jq) plane, where q denotes the coordination number of the lattice. Second, the sublattice magnetizations as functions of the temperature, the crystal-field and the biquadratic interaction strengths are thoroughly investigated. For q = 3, the resulting phase diagrams show first and second order phase transitions as well as compensation points where the net magnetization of the whole lattice should vanish in the antiferromagnetic version of the model. One interesting feature of the model concerns the presence of tricritical points. Our calculations show that at non-zero temperature, none of the sublattice can order separately. However, under an external magnetic field, some interesting phase diagrams with partially ordered phases arise.     

Magnetic phase diagram of the dimerized spin S = 1/2 ladder

The ground-state magnetic phase diagram of a spin S=1/2 two-leg ladder with alternating rung exchange J_⊥(n)=J_⊥[1 + (-1)ⁿ δ] is studied using the analytical and numerical approaches. In the limit where the rung exchange is dominant, we have mapped the model onto the effective quantum sine-Gordon model with topological term and identified two quantum phase transitions at magnetization equal to the half of saturation value from a gapped to the gapless regime. These quantum transitions belong to the universality class of the commensurate-incommensurate phase transition. We have also shown that the magnetization curve of the system exhibits a plateau at magnetization equal to the half of the saturation value. We also present a detailed numerical analysis of the low energy excitation spectrum and the ground state magnetic phase diagram of the ladder with rung-exchange alternation using Lanczos method of numerical diagonalizations for ladders with number of sites up to N = 28. We have calculated numerically the magnetic field dependence of the low-energy excitation spectrum, magnetization and the on-rung spin-spin correlation function. We have also calculated the width of the magnetization plateau and show that it scales as δ^ν, where critical exponent varies from ν = 0.87±0.01 in the case of a ladder with isotropic antiferromagnetic legs to ν = 1.82±0.01 in the case of ladder with ferromagnetic legs. Obtained numerical results are in an complete agreement with estimations made within the continuum-limit approach.     

面心立方晶体中生成孪晶或六角密堆相的电子衍射分析

用指数变换矩阵将面心立方晶体的晶带轴[uvw]变换成孪晶的[u^tv^tw^t]及六角密堆结构的[u′v′w′],在略去这些指数的公共系数后,如u^(t2)+v^(t2)+w^(t2)>u²+v²+w²或u′,v′≠3n而u′+v′=3n,则孪晶或六角密堆结构与面心立方晶体有完全相重的电子衍射谱。这种标定的不唯一性是广泛存在的。 关键词：     

Long-Time tails in a random diffusion model

Letw = {w(x)xZ^d} be a positive random field with i.i.d. distribution. Given its realization, letX _t be the position at timet of a particle starting at the origin and performing a simple random walk with jump rate w^–1(X_t). The processX={X _t:t0} combined withw on a common probability space is an example of random walk in random environment. We consider the quantities _t =(d/dt) E (X _t ² –M ^–1 t and _t(w) = (d/dt)E_w(X _t ² – M^– 1t). Here E_w. is expectation overX at fixedw and E = E_w (dw) is the expectation over bothX andw. We prove the following long-time tail results: (1) lim_t t^d/2_t= V²M^d/2–3(d/2)^d/2 and (2) lim_t t^d/4 _st(w)= Z_s weakly in path space, with {Z_s:s>0} the Gaussian process with EZ_s=0 and EZ_rZ_s= V²M^d/2–4(d)^d/2 (r + s)^–d/2. HereM and V² are the mean and variance of w(0) under . The main surprise is that fixingw changes the power of the long-time tail fromd/2 tod/4. Since , with ₀ the stationary measure for the environment process, our result (1) exhibits a long-time tail in an equilibrium autocorrelation function.     

Quantum transport in dynamically disordered continuum tight binding systems

We consider the continuum limit of three distinct models describing tightly bound electron systems in one dimension. The first model is the usual tight binding hamiltonian for monatomic lattices with nearest-neighbour hopping between sites. The second model describes a two-subband tight binding system involving two different atoms per unit cell. Finally, the third model represents a monatomic system with two energy levels per atomic site and different nearest-neighbour hopping parameters for hopping between equivalent and non-equivalent levels. The continuum limits of these models result in field-theoretic hamiltonians showing similarities with the Dirac hamiltonian. Assuming the different types of site energies to be dynamically disordered with gaussian whitenoise spectra, we calculate exactly the quantum mechanical mean square displacement <x ²(t)>. Due to the use of Novikov's theorem for the evaluation of configuration averages our analysis for the two-band models is restricted to the degenerate case, where the average positions of the two types of atomic levels coincide. Fort we find coherent motion, <x ²(t)>t ², for the one-band model and disorder induced diffusive contributions for the two-band models. However, for the two-level atomic model the diffusive term is dominated by at ²-term describing coherent hopping between equivalent levels. These findings are discussed in relation to previous results for both discrete and continuum models.     

Ferromagnetism of metallic compounds with the perovskite structure

On the basis of the concept of strong interaction in one unit cell, it is stated that ferromagnetic instability can occur in a system with hops between oxygen anions and transition metal (Me) cations in A_1?xB_xMeO₃ compounds. A phase diagram is constructed to describe the occurrence of ferromagnetic ordering as a function of the average number of holes (h_{t, d}) and (h_p) in the low-spin or high-spin t _2g ⁶ or high-spin 3d¹⁰ shell of the transition metal and in the 2p⁶ shells of O^2?.     

Homogeneous anisotropic cosmological models with variable gravitational and cosmological “Constants”

The Einstein field equations with perfect fluid source and variable andG for Bianchi-type universes are studied under the assumption of a power-law time variation of the expansion factor, achieved via a suitable power-law assumption for the Hubble parameter suggested by M. S. Berman. All the models have a power-law variation of pressure and density and are singular at the epocht=0. The variation ofG(t) as 1/t and (t) as 1/t ² is consistent with these models.     

Upper Bounds for Coarsening for the Deep Quench Obstacle Problem

The deep quench obstacle problem models phase separation at low temperatures. During phase separation, domains of high and low concentration are formed, then coarsen or grow in average size. Of interest is the time dependence of the dominant length scales of the system. Relying on recent results by Novick-Cohen and Shishkov (Discrete Contin. Dyn. Syst. B 25:251–272, 2009), we demonstrate upper bounds for coarsening for the deep quench obstacle problem, with either constant or degenerate mobility. For the case of constant mobility, we obtain upper bounds of the form t ^1/3 at early times as well as at times t for which E(t) ￡ \frac(1-[`(u)]<sup>2</sup>)4E(t)\le\frac{(1-\overline{u}^{2})}{4}, where E(t) denotes the free energy. For the case of degenerate mobility, we get upper bounds of the form t <sup>1/3</sup> or t <sup>1/4</sup> at early times, depending on the value of E(0), as well as bounds of the form t <sup>1/4</sup> whenever E(t) ￡ \frac(1-[`(u)]²)4E(t)\le\frac{(1-\overline{u}^{2})}{4}.     

UV excimer laser photochemistry of hybrid organometallic compounds of gallium

The gas phase ultraviolet (UV) excimer laser induced photolysis of the gallium-alkyls Ga(t-C₄H₉) _n ^– (CH₃)_3–n (n=0, 1, 2, 3) was studied, using photolysis wavelengths of 308, 248, and 193 nm. The photofragments Ga, GaH, and GaCH₃ were detected by laser ionization time-of-flight mass spectroscopy, while the hydrocarbon products CH₄, C₂H₆, HC(CH₃)₃ and H₂C=C(CH₃)₂ were identified using Fourier transform infrared (FTIR) spectroscopy. The formation of the GaH photofragment, and a high olefin-to-alkane product ratio, for Ga(t-C₄H₉)₂(CH₃) and Ga(t-C₄H₉)₃ are interpreted to indicate a -hydrogen elimination process. However, -hydrogen elimination only occurs after fission of the weakest Ga-C bond, thus no -hydride elimination is observed for Ga(t-C₄H₉)(CH₃)₂. Detection of C₂H₆ for Ga(CH₃)₃ and Ga(t-C₄H₉)(CH₃)₂, but not for Ga(t-C₄H₉)₂(CH₃), shows that under our experimental conditions the formation of ethane is as a result of the reductive elimination of the methyl groups, and is not due to the recombination of two free methyl radicals.     

On the kinetics of a two-level system with a diffusion-modulated interaction

For a two-level system corresponding to a particle of spin ½ in a random field in the Z direction, the relaxation function

has been estimated, the magnitude Ω(t) being the sum of the isotropic interactions of the particle in question with particles j executing diffusional motion. Specifically Ω(t)=ω₀ + Σ ω(Mj, rj), where ω₀ = constant, M_j is a random time-independent parameter, ω(M, r) decreases with r faster than r ^-3 and r _j = r _j (t) is a diffusional, random function. From the expression for <σ⁺(t)>, we establish general features of the relaxation phenomenon for diffusional processes, and calculate the relaxation rate 1/T ₂ and relaxation shift Δω to be 1/T ₂-iΔω = 4π CAv_M λ _M , where C is the concentration of particles and λ _M is the scattering length for an equation of the Schrödinger type with an imaginary potential -iω(M, r) instead of U/?, and diffusion coefficient instead of ?/2m. We also found that for the case of ‘external’ relaxation, the Redfield approach proved valid only under the simultaneous restrictions of low concentration and weak interaction.     

Topological phase diagram of a Kitaev ladder

We investigate the topological properties of a Kitaev ladder, i.e., a system made of two Kitaev chains coupled together by transversal hopping and pairing term, t₁ and Δ₁, respectively. Using the Chern number invariant, we present the topological phase diagram of the system. It is shown that beyond a non-topological phase, the system exhibits a topological phase either with four or two Majorana (zero energy) modes. In particular, we find that for some critical values of the transversal hopping t₁, and at a given transversal paring Δ₁, the topological phase survives also when the Kitaev criterion for the single chain (Δ > 0,   |μ| < 2t) is violated. Using a tight-binding analysis for a finite-size system we numerically check the bulk-edge correspondence.     

Monte Carlo simulation of phase separation and clustering in the ABV model

As a model for a binary alloy undergoing an unmixing phase transition, we consider a square lattice where each site can be either taken by an A atom, a B atom, or a vacancy (V), and there exists a repulsive interaction between AB nearest neighbor pairs. Starting from a random initial configuration, unmixing proceeds via random jumps of A atoms or B atoms to nearest neighbor vacant sites. In the absence of any interaction, these jumps occur at jump rates _A and _B, respectively. For a small concentration of vacancies (c _v=0.04) the dynamics of the structure factorS(k,t) and its first two momentsk ₁(t),k ₂ ² (t) is studied during the early stages of phase separation, for several choices of concentrationc _B of B atoms. Forc _B=0.18 also the time evolution of the cluster size distribution is studied. Apart from very early times, the mean cluster sizel(t) as well as the moments of the structure function depend on timet and the ratio of the jump rates (= _B/ _A) only via a scaled timet/(). Qualitatively, the behavior is very similar to the direct exchange model containing no vacancies. Consequences for phase separation of real alloys are briefly discussed.     

Time-reversal symmetry breaking by ac field: Effect of commensurability in the frequency domain

It is shown that the variance of the linear dc conductance fluctuations in an open quantum dot under high-frequency ac pumping depends significantly on the spectral content of the ac field. For a sufficiently strong ac field the dc conductance fluctuations are much stronger for the periodic pumping than in the case of the noise ac field of the same intensity. The reduction factor r in a static magnetic field takes the universal value of 2 only for the white-noise pumping. In general r may deviate from 2 thus signalling on the time-reversal breaking by the ac field. For the bi-harmonic ac field of the form A(t) = A ₀[cos(ω ₁ t) − cos(ω ₂ t)] we predict the enchancement of effects of T-symmetry breaking at commensurate frequencies ω ₂/ω ₁ = P/Q. In the high-temperature limit there is also the parity effect; the enchancement is only present if either P or Q is even.