Order and excitation in partially Gutzwiller projected t-t'-t"-J-U models

Extended t-t'-t"-J-U models in which the second-nearest-neighbor hopping (t') and third-nearest-neighbor hopping (t") are included are studied using renormalized mean field theory. The models are meant to be low-energy effective models for the Hubbard models, and hence the Heisenberg exchange integral J and Hubbard repulsion U are related by J = 4t(2)/U. The trial wavefunctions for the ground states are partially Gutzwiller projected Hartree-Fock states. The Gutzwiller projection is implemented by means of a Gutzwiller approximation, and the site double occupancy d is taken as a variational parameter. It is found that a large |t'/t| narrows the band filling range that sustains antiferromagnetism (AFM) in the ground state, enhances the d-wave singlet superconductivity (dSC) in hole overdoped systems, but suppresses the dSC in electron overdoped systems. For a system that has large |t'/t| and |t"/t'|, the superconductivity (SC) at the onset of AFM in hole doped band filling is strongly suppressed. On the excitation occurring, when an electron doped system simultaneously contains SC and AFM, the system is found to have a nodeless gap at the Fermi level. Finally, the result of this study is related to experiments on the superconducting cuprates.     

Emergent spin

Quantum mechanics and relativity in the continuum imply the well known spin–statistics connection. However for particles hopping on a lattice, there is no such constraint. If a lattice model yields a relativistic field theory in a continuum limit, this constraint must “emerge” for physical excitations. We discuss a few models where a spin-less fermion hopping on a lattice gives excitations which satisfy the continuum Dirac equation. This includes such well known systems such as graphene and staggered fermions.     

Exact Propagators for Exciton Motion on a Chain with Alternating Site Energies or Intersite Interactions

The exciton motion on a chain with alternating site energies (model A) or intersite interactions (model B) is studied analytically. Exact solutions for the amplitude propagators in two systems are obtained explicitly, from which the effects of the site-energy mismatch and the hopping disturbance on the diffusing behavior of the moving exciton are displayed. The symmetry properties for the amplitude propagators in the real space are also given.     

基于能量的轨线面跳跃新退相干修正方法

本文受轨线分叉修正面跳跃(BCSH)方法[J. Xu and L. Wang, J. Chem. Phys. 150,164101 (2019)]的启发,提出了两种轨线面跳跃新退相干时间计算公式. 本研究的线型和指数型公式均将退相干时间刻画为绝热势能面之间能差的函数,能够准确地描述BCSH预测的由波包反射导致的退相干效应. 在包含了200个多样化的系列模型中,采用不同的初始核动量,以精确全量子解为参考,对涉及的参数进行了系统训练. 相比广泛使用的退相干公式,两种新方法在Tully的三个标准模型中都显著地提高了可靠性,并保持高计算效率.     

Topological phase transition in the quasiperiodic disordered Su–Schriffer–Heeger chain

We study the stability of the topological phase in one-dimensional Su–Schrieffer–Heeger chain subject to the quasiperiodic hopping disorder. Two different hopping disorder configurations are investigated, one is the Aubry–André quasiperiodic disorder without mobility edges and the other is the slowly varying quasiperiodic disorder with mobility edges. Interestingly, we find topological phase transitions occur at the critical quasiperiodic disorder strengths which have an exact linear relation with the dimerization strengths for both disorder configurations. We further investigate the localized property of the Su–Schrieffer–Heeger chain with the slowly varying quasiperiodic disorder, and identify that there exist mobility edges in the spectrum when the dimerization strength is unequal to 1. These interesting features of models will shed light on the study of interplay between topological and disordered systems.     

Photoemission, inverse photoemission and superconducting correlations in Hubbard and t-J ladders: role of the anisotropy between legs and rungs

Several experiments in the context of ladder materials have recently shown that the study of simple models of anisotropic ladders (i.e. with different couplings along legs and rungs) is important for the understanding of these compounds. In this paper Exact Diagonalization studies of the one-band Hubbard and t-J models are reported for a variety of densities, couplings, and anisotropy ratios. The emphasis is given to the one-particle spectral function which presents a flat quasiparticle dispersion at the chemical potential in some region of parameter space. This is correlated with the existence of strong pairing fluctuations, which themselves are correlated with an enhancement of the bulk-extrapolated value for the two-hole binding energy as well as with the strength of the spin-gap in the hole-doped system. Part of the results for the spectral function are explained using a simple analytical picture valid when the hopping along the legs is small. In particular, this picture predicts an insulating state at quarter filling in agreement with the metal-insulator transition observed at this special filling for increasing rung couplings. The results are compared against previous literature, and in addition pair-pair correlations using extended operators are also here reported. Received: 22 April 1998 / Revised: 23 July 1998 / Accepted: 30 July 1998     

Magic numbers and erratic level crossings of double-well Bose-Einstein condensates

By developing an approach by which we are able to quickly obtain spectra and eigenstates, we reveal for what is believed to be the first time the two novel phenomena of magic numbers and erratic level crossings in double-well Bose-Einstein condensates of N atoms. For N < or = 27 and values of U/J that are not too small (U is the two-body interaction strength, and J is the hopping parameter), systems with even atoms are shown to be much more stable than those with odd atoms, and hence even integers play a role in such systems as if they were the magic numbers of nuclei. For N > or = 30, erratic level crossings occur as NU > J.     

Exact singlet bond ground states for electronic models

We proposed several 1D and 2D electronic models with the exact ground state. The ground-state wave function of these models is represented in terms of “singlet bond” functions consisting of homopolar and ionic configurations. The Hamiltonians of these models include correlated hopping of electrons, pair hopping terms, and spin interactions.     

交错跃迁Hofstadter梯子的量子流相

为玻色Hofstadter梯子模型引入交错跃迁,来扩展模型支持的量子流相.基于精确对角化和密度矩阵重整化群计算发现,无相互作用时,系统中包含横流相、涡旋相和纵流相;横流相来自均匀跃迁时Hofstadter梯子模型的Meissner相,纵流相是交错跃迁时才可见的流相.强相互作用极限下系统的超流区也包含横流相、纵流相和涡旋相,但存在更多的相变级数;超流区的横流相、纵流相之间存在相变但Mott区的不存在,把Mott区的"横、纵流相"称为Mott-均匀相,在Mott区只存在均匀相和涡旋相.跃迁的交错会压缩涡旋相存在的区域,使Mott区最终只剩下均匀相;跃迁的交错不仅能驱动Mott-超流相变,还使磁通的改变也能够驱动系统的Mott-超流相变.对这一系统的研究丰富了磁通系统中的量子流相,同时为研究拓扑流特性提供了模型支持.     

Thermodynamic properties and application of CBH model in the ac conductivity of LiNi1.5P2O7 ceramic

The LiNi_1.5P₂O₇ compound was prepared by the solid-state reaction method at 923 K and characterized through XRD and Raman spectroscopy techniques. The impedance spectroscopy measurements were performed in the frequency and the temperature range (300 Hz–5 MHz) and (633–729 K), respectively. The ac conductivity for grain contribution is interpreted using the universal Jonscher’s power low. The exponent n decreases with increasing temperature which reveals that the conduction inside the studied material is insured by the correlated barrier hopping (CBH) model. The parameters of CBH model were determined showing that the ac conduction is realised by single-polaron hopping mechanism. Thermodynamic parameters such as the free energy for dipole relaxation ΔF, the enthalpy ΔH, and the change in entropy ΔS have been calculated.     

Absence of single-particle Bose-Einstein condensation at low densities for bosons with correlated hopping

Motivated by the physics of mobile triplets in frustrated quantum magnets, the properties of a two-dimensional model of bosons with correlated hopping are investigated. A mean-field analysis reveals the presence of a pairing phase without single-particle Bose-Einstein condensation (BEC) at low densities for sufficiently strong correlated hopping, and of an Ising quantum phase transition towards a BEC phase at larger density. The physical arguments supporting the mean-field results and their implications for bosonic and quantum spin systems are discussed.     

Analytic instanton solutions in two-dimensional field models

Two-dimensional scalar field models with nontrivial potential determined in bounded spatial regions are considered. Exact analytic instanton solutions for these models and soliton solutions for similar three-dimensional systems are obtained.     

Coherent Motion of Excitons on a Dimerized chain

The quantum coherent motion of excitons on a dimerized chain with alternating site energies and in tersite interactions is studied analytically. Exact solutions for the propagators at any site, the mean polarization and mean-square displacement are obtained. Through these exact results and accompanying numerical analysis, it is shown that the increase of the site-energy mismatch and the hopping disturbance will tend to strengthen the localization.     

Flux Hamiltonians, Lie algebras, and root lattices with minuscule decorations

We study a family of Hamiltonians of fermions hopping on a set of lattices in the presence of a background gauge field. The lattices are constructed by decorating the root lattices of various Lie algebras with their minuscule representations. The Hamiltonians are, in momentum space, themselves elements of the Lie algebras in these same representations. We describe various interesting aspects of the spectra, which exhibit a family resemblance to the Dirac spectrum, and in many cases are able to relate them to known facts about the relevant Lie algebras. Interestingly, various realizable lattices such as the kagomé and pyrochlore can be given this Lie algebraic interpretation, and the particular flux Hamiltonians arise as mean-field Hamiltonians for spin-1/2 Heisenberg models on these lattices.     

Enhanced pairing in doped quantum magnets with frustrated hole motion

Evidence for strong pairing at arbitrarily small J/t is provided in a t-J model on the checkerboard lattice for a specific sign of the hopping amplitude. Destructive quantum interferences suppress Nagaoka ferromagnetism when J/t-->0 and drastically reduce coherent hole motion in the fluctuating singlet background. It is shown that, by pairing in various orbital symmetry channels, holes can benefit from a large gain of kinetic energy.     

Effect of Carbon on the Electrical Properties of Copper Oxide-Based Bulk Composites

The effect of carbon filler on the electrical resistance and the thermopower of copper oxide-based composites produced by ceramic technology by hot pressing has been studied. It is found that the dependences of the electrical resistivity on the filler concentration are characteristic by S-like curves that are typical of percolation systems; in this case, the resistivity decreases more substantially as the carbon content increases as compared to the decrease in thermopower value, which is accompanied by the existence of the maximum of the factor of thermoelectric power near the percolation threshold. The studies of the temperature dependences of the resistivity and the thermopower at low temperatures show that, in the range 240–300 K, the predominant mechanism of the electrotransfer of all the composites under study is the hopping mechanism. At temperatures lower than 240 K, the composites with a nanocrystalline CuO matrix have a hopping conductivity with a variable hopping distance over localized states of the matrix near the Fermi level, which is related to the conductivity over intergrain CuO boundaries. A schematic model of the band structure of nanocrystalline CuO with carbon filler is proposed on the base of the analysis of the found experimental regularities of the electrotransfer.     

Interacting Spinor and Scalar Fields in Bianchi Type I Universe Filled with Perfect Fluid: Exact Self-Consistent Solutions

In the framework of Bianchi I (BI) cosmological models a self-consistent system of interacting spinor and scalar fields has been considered. We introduced an interaction function F(I, J) which is an arbitrary function of invariants I and J, generated from the real bilinear forms of the spinor field. Exact self-consistent solutions to the field equations have been obtained for the cosmological model filled with perfect fluid. The initial and the asymptotic behavior of the field functions and of the metric one has been thoroughly studied.     

Proton diffusion mechanism in amorphous SiO2

We study proton diffusion in amorphous SiO2 from the atomic scale to the long-range percolative regime. Ab initio molecular dynamics suggest that the dominant atomic process consists in cross-ring interoxygen hopping assisted by network vibrations. A statistical analysis accounting for the disorder in amorphous SiO2 yields relations between transition energies and interoxygen distances for both cross-ring and nearest-neighbor hopping. The percolative regime is then addressed through large-size model systems reproducing these relations. Cross-ring hopping is confirmed as the dominant diffusion mechanism and supported by a good agreement with experiment for the activation energy.     

Phase transition and charge transport through a triple dot device beyond the Kondo regime

Semiconductor quantum dot structure provides a promising basis for quantum information processing, within which to reveal the quantum phase and charge transport is one of the most important issues. In this paper, by means of the numerical renormalization group technique, we study the quantum phase transition and the charge transport for a parallel triple dot device in the strongly correlated limit, focusing on the effect of inter-dot hopping t beyond the Kondo regime. We find the quantum behaviors depend closely on the initial electron number on the dots, and the present model may map to single,double, and side-coupled impurity models in different parameter spaces. An orbital spin-1/2 Kondo effect between the conduction leads and the bonding orbital, and several magnetic-frustration phases are demonstrated when t is adjusted to different regimes. To understand these phenomena, a canonical transformation of the energy levels is given, and important physical quantities with respect to increasing t and necessary theoretical discussions are shown.     

Formation of exotic states in the <Emphasis Type="Italic">s–d</Emphasis> exchange and <Emphasis Type="Italic">t–J</Emphasis> models

Different scenarios of the implementation of the two-band model in systems of strongly correlated electrons, including frustrated magnetic systems, high-temperature superconductors, and Kondo lattices, are considered. The interaction of current carriers with magnetic moments in the representations of pseudofermions or Schwinger bosons describing the spinon excitations is studied on the basis of the derived Hamiltonians of the s–d exchange and t–J models within the formalism of many-electron Hubbard X operators.