The limitimg behaviour of the well width of a quantum two-dimensional metal–insulator transition

Metal–Insulator transition using an exact two-dimensional (2D) dielectric function is investigated for a shallow donor in an isolated well of a GaAs/Ga_1−xAl_sAs superlattice system within the effective mass approximation. Vanishing of the donor ionization energy as a function of well width and the donor concentration suggests that a phase transition is not possible even below a well width of 10 Å, supporting the scaling theory of localization. The effects of Anderson localization, exchange and correlation in the Hubbard model are included in a simple way. The relationship between the present model and the Mott criterion in terms of Hubbard model is also brought out. The critical concentration appears to be enhanced when a random distribution of impurities is considered. The limiting behaviour of the well width for a quantum 2D well is brought out. A simple expression is derived for a Mott constant in 2D, a*N_c^1/2 exp (9.86 exp (−L/a*))=0.123, where N_c is the critical concentration per area. Results are compared with the existing data available and discussed in the light of existing literature.     

Band effects on the conductivity for a two-band Hubbard model

The band effects on the conductivity of a one-dimensional two-band Hubbard model is studied based on the ground state energy analysis. It is found that the system with filling factor one is a metal at zero temperature if the on-site interaction U is smaller than a critical value U_c, and is an insulator if U is larger than U_c. The value of metal-insulator transition point U_c is obtained. This result is different from that of 1D single-band Hubbard model where the quantum phase transition point U_c=0. Therefore, the orbital degree of freedom plays an essential role in the states of matter.     

Superconductivity as a Kosterlitz–Thouless transition in the two-dimensional Hubbard model

We investigate a superconducting Kosterlitz–Thouless transition in the two-dimensional (2D) Hubbard model using auxiliary quantum Monte Carlo method for the ground state. The pair susceptibility is computed for both the attractive and repulsive Hubbard model. The numerical results show that the s-wave pair susceptibility scales as χ  L² for the attractive case, in agreement with previous quantum Monte Carlo studies. The scaling χ  L² also holds for the d-wave pair susceptibility for the repulsive Hubbard model if we adjust the band parameter t′.     

Quantum critical phenomena, entanglement entropy and Hubbard model in 1d with the boundary site with a negative chemical potential −p and the Hubbard coupling U positive

Recently the ground state and some excited states of the half-filled case of the 1d Hubbard model were discussed exactly for an open chain with L sites. The case when the boundary site has the chemical potential −p and the Hubbard coupling U is positive was considered. We model CeAl₂ nanoparticles, in which a valence of 4f electron number changes on surface Ce atoms, by this Hubbard model. A surface phase transition exists at some critical value pc3 of chemical potential (its absolute value) p in the model; when p<pc3 all the charge excitations have the gap, while there exists a massless charge mode when p>pc3. The aim of this Letter is to find whether this surface phase transition is of the first order or of the second order. We have found that the entanglement entropy and its derivative has a discontinuity at pc3 in general and thus this transition is of the first order (with exception of two points for the probability w₂ of occurrence of two electrons with opposites spins on the same site). There is a divergence in the difference of entanglement entropy for points w₂=0 and . The first point w₂=0 corresponds to ferro- (antiferro-) magnetic state at half-filled case. The second point does not correspond to any state for halffilled case. In the first case there is present the surface phase transition of the second order type.     

Filling dependence of correlation exponents and metal-Mott insulator transition in strongly correlated electron systems

Using a universal relation between electron filling factor and ground state energy,this paper studies the dependence of correlation exponents on the electron filling factor of one-dimensional extended Hubbard model in a strong coupling regime,and demonstrates that in contrast to the usual Hubbard model(gc = 1/2),the dimensionless coupling strength parameter g c heavily depends on the electron filling,and it has a "particle-hole" symmetry about electron quarter filling point.As increasing the nearest neighbouring repulsive interaction,the single particle spectral weight is transferred from low energy to high energy regimes.Moreover,at electron quarter filling,there is a metal-Mott insulator transition at the strong coupling point gc = 1/4,and this transition is a continuous phase transition.     

Quantum spin liquid near Mott transition with fermionized π-vortices

In this paper, we study the non-magnetic insulator state near Mott transition of 2D π-flux Hubbard model on square lattice and find that such non-magnetic insulator state is quantum spin liquid state with nodal fermionic excitations – nodal spin liquid (NSL). When there exists small easy-plane anisotropic energy, the ground state becomes Z ₂ topological spin liquid (TSL) with full gapped excitations. The U(1) × U(1) mutual-Chern-Simons (MCS) theory is obtained to describe the low energy physics of NSL and TSL.     

Field-induced valence transition in EuPtP<Subscript>1−x</Subscript>As<Subscript>x</Subscript>

The ternary compound EuPtP exhibits two valence transitions at T ₁ = 235 K and T ₂ = 190 K. In order to examine a field-induced valence transition of Eu, we synthesized EuPtP_1−x As _x compounds with 0.05 ≤ x ≤ 0.5 and studied the magnetic and valence behavior. The substitution of As for P increases the lattice volume linearly and decreases both valence transition temperatures, T ₁ and T ₂, in contrast to the behavior under external pressures. The magnetization process in a pulsed magnetic field revealed that EuPtP_0.5As_0.5 exhibits an onset of metamagnetic transition above 50 T with a large hysteresis, which evidences a first-order field-induced valence transition. The analysis of the magnetization curves of x = 0.5 at various temperatures has demonstrated that the field-induced transition is essentially the same as the transition induced by temperature at T ₁.     

Theory of tunneling spectroscopy in

We calculate the surface density of state of iron based LaFeAsO_1-xF_x superconductor. The gap function is obtained microscopically by solving the Eliashberg equation in a 5-band Hubbard model with the random phase approximation (RPA). Although the gap function has a sign change between Fermi surfaces, we cannot find zero bias conductance peak for [1 0 0] and [1 1 0]-oriented interface.     

Quantum correlations in the dimerized spin chain at zero and finite temperatures

By using the method of exact diagonalization, we investigate the quantum correlation measured by quantum discord of the dimerized spin chain at both zero and finite temperatures. The results disclose that the quantum discord is robust at any finite parameter α and temperature T, in contrast to entanglement which shows a sudden death when the parameter α or the temperature T reaches a critical point. At finite temperature, it is interesting to find that the quantum discord QD _{2i−1, 2i} can increase with temperature T no matter if the entanglement EoF _{2i−1, 2i} exists or not. The research on the relation between the quantum discord and the quantum phase transition in the dimerized spin chain indicates that the transition can be characterized by the first derivation of the quantum discord at zero and low temperatures.     

Finite Temperature Phase Diagram in the Half-Filled Extended Hubbard Model1

The CDW-SDW transition in the half-filled extended Hubbard model is investigated with the broken-symmetry Hartree theory formulated in terms of the Bogoliubov variational approach. The finite temperature phase-diagram in the weak coupling regime is derived analytically with a model density of states. The results show that there exist charge-order and antiferromagnetic order, but no mixed phase exists at any temperatures.     

Thermal Entanglement in Anisotropic Heisenberg XYZ Chain with External Magnetic Field at Any Finite <Emphasis Type="Italic">T</Emphasis>

The thermal entanglement of a Two-qubit anisotropic Heisenberg XYZ chain in thermal equilibrium at temperature T in the presence of external magnetic field is investigated, the combined influence of anisotropic interaction and the inhomogeneous magnetic field on the thermal entanglement of the system is examined. Our results show that, the thermal entanglement can be produced at any finite T by adjusting the magnetic field strength, and the critical magnetic field ε for which the concurrence C vanishes is increased by introducing the interaction of the z-component of two neighboring spins J _z , and by the increasing of the anisotropic parameter γ.     

Doublon–holon-binding mechanism of Mott transition in 2D Hubbard model

The mechanism of nonmagnetic Mott transitions in the Hubbard model on the square lattice is studied, using a variational Monte Carlo method. A simple doublon (D)–holon (H) binding mechanism a previous study proposed [J. Phys. Soc. Jpn. 75 (2006) 114706] has to be modified, because even a wave function with completely bound D–H pairs brings about a Mott transition at a finite correlation strength. By introducing two characteristic lengths, D–H pair binding length, ξ_DH, and minimum inter-doublon distance, ξ_DD, we can properly describe the physics of Mott transitions, and determine the critical point by ξ_DD ～ ξ_DH. This concept seems universal, because it is valid not only for newly introduced wave functions with long-range D–H and D–D (H–H) correlation factors discussed here, but for a wide range of wave functions with D–H binding factors.     

Synthesis and characterization of proton-conducting polymer electrolyte based on polyacrylonitrile (PAN)

Solid polymer electrolytes based on polyacrylonitrile (PAN) doped with ammonium iodide (NH₄I) have been prepared by solution casting method with different molar ratios of polymer and salt using DMF as solvent. The XRD pattern confirms the dissociation of salt. The FTIR analysis confirms the complex formation between the polymer and the salt. A shift in glass transition temperature (T _g ) of the PAN/NH₄I electrolytes has been observed from the DSC thermograms, which indicates the interaction between the polymer and the salt. The conductivity analysis shows that the polymer electrolyte with 20 mol% NH₄I has the highest conductivity equal to 1.106 × 10⁻³ S cm⁻¹ at room temperature. The activation energy (E _a ) has been found to be low for the highest conductivity sample. The dielectric permittivity (ε*) and modulus (M*) have been calculated from the alternating current (AC) impedance spectroscopy in the frequency range 42 Hz–1 MHz. The DC polarization measurement shows that the conductivity is mainly due to ions.

     

System-parameter dependence of the metallic phase of the non-doped 2D Hubbard model

Naito et al. reported that some non-doped T′-214-type compounds drive high-T_c superconductivity. The compounds are considered to be metallic since on-site Coulomb energy U is moderate and the Fermi surface is much deformed in these compounds. In order to confirm this picture and extract electronic structure information, we have examined the phase diagram of the metallic state of the 2D Hubbard model as a function of U and t′ (with t″ we fixed at − t′/2 here; t′ and t″ are the second- and third-neighbor transfer energies, respectively) by means of the variational Monte–Carlo method. We employed a Jastrow-type Gutzwiller trial wave function. In the studied range of U = 2–12, the boundary value for |t′| at which SDW disappears increases almost linearly with U. Jump-wise transition to the Mott insulator state was not observed. Using the boundary curve and experimental band parameter values, we estimate U  5 for T′-214 compounds. Preceding works are discussed in the last part.     

Hydrostatic pressure driven spin,volume and band gap collapses in SmFeO3: a GGA + U study

The crystal structure, magnetic and electronic properties of SmFeO₃ under hydrostatic pressure have been studied by first-principles calculations within the generalized gradient approximation plus Hubbard U (GGA + U). The iso-structural phase transition with spin, volume and band gap collapses can be induced by a large enough hydrostatic pressure. The high-spin (HS) state of Fe³⁺, with the magnetic moment of ~4 μ_B, is retained at low pressure. The spin crossover occurs at a transition pressure (~68 GPa) with the magnetic moment of Fe³⁺ decreasing to ~1 μ_B in low-spin (LS) state. Meanwhile, the reductions of cell volume (by ~?5.43%) and band gap (from >2 eV to ~1.6 eV) of SmFeO₃ are obtained when the HS–LS transition happens. Finally, the critical pressure of HS–LS transition, magnetic and electronic properties are found to be Hubbard U dependent.     

Optical investigation of ferromagnetic Ga1−xMnxN layers grown on sapphire (0 0 0 1) substrates

We have investigated the temperature-dependent photoluminescence (PL) spectra in Ga_1−xMn_xN layers (where x≈0.1–0.8%) grown on sapphire (0 0 0 1) substrates using the plasma-enhanced molecular beam epitaxy technique. All the layers doped with manganese exhibited n-type conductivity with Curie temperature over 350 K. The efficient PL are peaked in the red (1.86 eV), yellow (2.34 eV), and blue (3.29 eV) spectral range. It was found that the blue band at 3.29 eV is mostly associated with the formation complexes between donors (e.g., N vacancy) and Mn acceptors, which results in forming donor levels at 0.23 eV below the conduction band edge. The yellow band is attributed to intrinsic gallium defects. The broad band at 1.86 eV is attributed to inner ⁵D state transition (T₂ to E) of Mn ions.     

Real‐space multiple‐scattering Hubbard model calculations for d‐ and f‐state materials

Calculations are presented of the electronic structure and X‐ray spectra of materials with correlated d‐ and f‐electron states based on the Hubbard model, a real‐space multiple‐scattering formalism and a rotationally invariant local density approximation. Values of the Hubbard parameter are calculated ab initio using the constrained random‐phase approximation. The combination of the real‐space Green's function with Hubbard model corrections provides an efficient approach to describe localized correlated electron states in these systems, and their effect on core‐level X‐ray spectra. Results are presented for the projected density of states and X‐ray absorption spectra for transition metal‐ and lanthanide‐oxides. Results are found to be in good agreement with experiment.     

Numerical study of entanglement entropy in lattice gauge theory

The entropy of entanglement between a three-dimensional slab of thickness l and its complement is studied numerically for four-dimensional SU(2) lattice gauge theory. We find a signature of a nonanalytic behavior of the entanglement entropy, which was predicted recently for large N_c confining gauge theories in the framework of AdS/CFT correspondence. The derivative of the entanglement entropy over l is likely to have a discontinuity at some l=l_c. It is argued that such behavior persists even at finite temperatures, probably turning into a sort of crossover for temperatures larger than the temperature of the deconfinement phase transition. We also confirm that the entanglement entropy contains quadratically divergent l-independent term, and that the nondivergent terms behave as l⁻² at small distances.     

On the phase diagram of the Extended Hubbard Model

The phase diagram of the Extended Hubbard Model in the atomic limit (zero band width) is investigated for arbitrary values of intra-site interactionI, inter-site repulsionW and chemical potential . First the ground states and their boundaries in the plane (I/4W, –₀/4W) are determined and then using the Peierls chessboard method the existence of several kinds of long range orders, corresponding to ground states, is proven. It is conjectured that the results obtained hold for finite but sufficiently small band width. Arguments in favour of this conjecture are presented.     

Order parameter quantum fluctuations in a two-dimensional system of mesoscopic Josephson junctions

The boson lattice Hubbard model is used to study the role of quantum fluctuations of the phase and local density of the superfluid component in establishing a global superconducting state for a system of mesoscopic Josephson junctions or grains. The quantum Monte Carlo method is used to calculate the density of the superfluid component and fluctuations in the number of particles at sites of the two-dimensional lattice for various average site occupation numbers n ₀ (i.e., number of Cooper pairs per grain). For a system of strongly interacting bosons, the phase boundary of the ordered superconducting state lies above the corresponding boundary for its quasiclassical limit—the quantum XY-model—and approaches the latter as n ₀ increases. When the boson interaction is weak in the boson Hubbard model (i.e., the quantum fluctuations of the phase are small), the relative fluctuations of the order parameter modulus are significant when n ₀<10, while quantum fluctuations in the phase are significant when n ₀<8; this determines the region of mesoscopic behavior of the system. Comparison of the results of numerical modeling with theoretical calculations show that mean-field theory yields a qualitatively correct estimate of the difference between the phase diagrams of the quantum XY-model and the Hubbard model. For a quantitative estimate of this difference the free energy and thermodynamic averages of the Hubbard model are expanded in powers of 1/n ₀ using the method of functional integration. Zh. éksp. Teor. Fiz. 113, 261–277 (January 1998)