Effect of temperature on polaronic and bipolaronic structures of the adiabatic Holstein model

It is proved that the polaronic and bipolaronic structures found in the adiabatic Holstein model at large electron-phonon coupling by Aubry, Abramovici, and Raimbault survive under connection of the electrons to a low-temperature heat bath, uniformly in the size of the system. Bounds are computed for one-dimensional nearest neighbor chains, and some sample solutions are continued numerically.     

Many-Polaron States in the Holstein–Hubbard Model

A variational approach is proposed to study some properties of the adiabatic Holstein–Hubbard model which describes an assembly of fermionic charges interacting with a static atomic lattice. The sum of the electronic energy and the lattice elastic energy is proved to have minima with a many-polaron structure in a certain domain of model parameters. Our analytical work consists in expanding these energy minima from the zero electronic transfer limit which remarkably holds for a finite amplitude of the onsite Hubbard repulsion and for an unbounded lattice size.     

Ground state and polaron and bipolaron excited states in polydiacetylene

The electronic properties of ground state and charged excited states of non-degenerate polydiacetylene were investigated by means of a tight-binding model. The parameters of the model were obtained by comparison of the experimental and other theoretical results. It was found that there is a stable dimerized structure of polydiacetylene in ground state and the doping induces the nonlinear excitations, such as polarons and bipolarons. In order to compare the stability of polaron and bipolaron, the creation energy and binding energy were separately defined. By neglecting the electron-electron Coulomb interaction, a bipolaron is more stable than two independent polarons.     

共轭高分子链中极化子间相互作用对电荷迁移率的影响

基于综合考虑了电子与声子以及电子与电子相互作用的理论模型,采用数值方法计算了在外电场作用下共轭高聚物分子中电荷的迁移率,讨论了大小极化子共存并相互作用对分子链内电荷迁移率的影响。研究发现,电荷迁移率明显受大小极化子的载荷性质的影响,当大小极化子具有相同电性时,在低电场范围内,分子内电荷迁移率由大极化子运动性质主导,而在高电场范围内,分子内电荷迁移率由小极化子主导;另一方面,当大小极化子具有相反电性时,电荷迁移率只由大极化子运动性质主导,与电场强度无关。此外,还讨论了电子与电子相互作用对电荷迁移率"的影响。     

Extended Holstein polaron model for charge transfer in dry DNA

The variational method is applied to the study of charge transfer in dry DNA by using an extended Holstein small polaron model in two cases: the site-dependent finite-chain discrete case and the site-independent continuous one. The treatments in the two cases are proven to be consistent in theory and calculation. Discrete and continuous treatments of Holstein model both can yield a nonlinear equation to describe the charge migration in an actual long-range DNA chain. Our theoretical results of binding energy E_b, probability amplitude of charge carrier \phi and the relation between energy and charge--lattice coupling strength are in accordance with the available experimental results and recent theoretical calculations.     

Polaron crossover and bipolaronic metal-insulator transition in the half-filled Holstein model

The formation of a finite-density polaronic state is analyzed in the context of the Holstein model using the dynamical mean-field theory. The spinless and spinful fermion cases are compared to disentangle the polaron crossover from the bipolaron formation. The exact solution of dynamical mean-field theory is compared with weak-coupling perturbation theory, noncrossing (Migdal), and vertex correction approximations. We show that polaron formation is not associated with a metal-insulator transition, which is instead due to bipolaron formation.     

Features of the polaron ground state in one-dimensional Holstein model

Applying the method of coherent state orthogonal expansion, we expand the trial wave functions of ground state to the third order. We find that the ground state energy of the system decreases with the increase of expansion orders. Especially, at the zeroth order approximation, the probability distribution of the electron at different sites exhibits a soliton peak. However, the probability distribution of the electron at each site becomes identical, when we expand the trial wave functions of ground state to the higher orders. Supported by the Natural Science Foundation of Sichuan Province, China (Grant No. 2006C028)     

Charge density wave states in phase-engineered monolayer VTe2

Charge density wave (CDW) strongly affects the electronic properties of two-dimensional (2D) materials and can be tuned by phase engineering. Among 2D transitional metal dichalcogenides (TMDs), VTe$_{2}$ was predicted to require small energy for its phase transition and shows unexpected CDW states in its T-phase. However, the CDW state of H-VTe$_{2}$ has been barely reported. Here, we investigate the CDW states in monolayer (ML) H-VTe$_{2}$, induced by phase-engineering from T-phase VTe$_{2}$. The phase transition between T- and H-VTe$_{2}$ is revealed with x-ray photoelectron spectroscopy (XPS) and scanning transmission electron microscopy (STEM) measurements. For H-VTe$_{2}$, scanning tunneling microscope (STM) and low-energy electron diffraction (LEED) results show a robust $2sqrt 3 times 2sqrt 3 $ CDW superlattice with a transition temperature above 450 K. Our findings provide a promising way for manipulating the CDWs in 2D materials and show great potential in its application of nanoelectronics.     

Superconductivity and unconventional density waves in vanadium-based kagome materials AV3Sb5

Recently, the discovery of vanadium-based kagome metal AV₃Sb₅ (A= K, Rb, Cs) has attracted great interest in the field of superconductivity due to the coexistence of superconductivity, non-trivial surface state and multiple density waves. In this topical review, we present recent works of superconductivity and unconventional density waves in vanadium-based kagome materials AV₃Sb₅. We start with the unconventional charge density waves, which are thought to correlate to the time-reversal symmetry-breaking orders and the unconventional anomalous Hall effects in AV₃Sb₅. Then we discuss the superconductivity and the topological band structure. Next, we review the competition between the superconductivity and charge density waves under different conditions of pressure, chemical doping, thickness, and strains. Finally, the experimental evidence of pseudogap pair density wave is discussed.     

Quasiparticle density of states of 2H-NbSe2 single crystals revealed by low-temperature specific heat measurements according to a two-component model

Low-temperature specific heat in a dichalcogenide superconductor 2H-NbSe2 is measured in various magnetic fields. It is found that the specific heat can be described very well by a simple model concerning two components corresponding to vortex normal core and ambient superconducting region, separately. For calculating the specific heat outside the vortex core region, we use the Bardeen-Cooper Schrieffer （BCS） formalism under the assumption of a narrow distribution of the superconducting gaps. The field-dependent vortex core size in the mixed state of 2H-NbSe2, determined by using this model, can explain the nonlinear field dependence of specific heat coefficient γ（H）, which is in good agreement with the previous experimental results and more formal calculations. With the high-temperature specific heat data, we can find that, in the multi-band superconductor 2H-NbSe2, the recovered density of states （or Fermi surface） below Tc under a magnetic field seems not to be gapped again by the charge density wave （CDW） gap, which suggests that the superconducting gap and the CDW gap may open on different Fermi surface sheets.     

中国科学技术大学高温超导物理研究新进展

在中国科学技术大学（以下简称中国科大）建校50周年之际,文章作者对近年来中国科大在高温超导物理方面的最新研究进展情况作一介绍,包括新型高温超导材料探索研究和高温超导机理实验研究.在新型高温超导材料探索研究方面,文章作者首次发现了除高温超导铜基化合物以外第一个超导温度突破麦克米兰极限（39 K）的非铜基超导体——铁基砷化物SmO1-xFxFeAs,该类材料的最高超导转变温度可达到55K;中国科大还成功地制备出大量高质量的超导化合物单晶,包括Nd2-xCexCuO4,NaxCoO2,CuxTiSe2等.在高温超导机理实验研究方面,中国科大系统地研究了SmO1-xFxFeAs体系的电输运性质给出了该体系的电子相图;发现了在电子型高温超导体中存在反常的热滞现象和电荷-自旋强烈耦合作用;在NaxCoO2体系中也开展了系列的工作,并且首次明确了电荷有序态中小自旋的磁结构问题;此外,还系统地研究了CuxTiSe2体系中电荷密度波与超导的相互关系.     

The role of CDW gap on the magnetic phase transition in CMR materials

We propose a model to study the magnetic phase transition in the Colossal-Magneto-Resistance (CMR) material of general type R_1−x A _x MnO₃ (R = La, Sm, Nd; A = Ca, Sr, Ba). The model Hamiltonian consists of a Charge Density Wave (CDW) gap in the e _g -band and the strong magnetic field due to the spin ordering in the localized t _g core electrons. The Hamiltonian is solved by using Zubarev’s Green’s function technique to calculate CDW gap (Δ) and magnetization (M ^d ) in t _2g band. Both of them are solved self-consistently. Their combined effect on the temperature dependent magnetization (M ^c ) due to the e _g band electrons is investigated. Both the magnitude and the transition temperature of (M ^c ) are strongly influenced by both Δ and M ^d . Hence the hopping of the band electrons are strongly controlled by these two long range interactions. The results are discussed by varying the model parameters of the manganite system.      

Peak effect studies in single crystals CeRu2 and 2H-NbS2

We have studied the peak effect (PE) phenomenon in single crystals of weakly pinned superconductors CeRu₂ and 2H-NbS₂. 2H-NbS₂ is iso-structural and iso-electronic to 2H-NbSe₂, whose similarity with CeRu₂ as regards the PE representing the order-to-disorder transformation of the flux line lattice was claimed some time ago. We report on the step change in equilibrium magnetization across the peak effect in CeRu₂. We also present the vortex phase diagram of 2H-NbS₂ obtained from the magnetization data, and compare the PE phenomenon in 2H-NbS₂ and 2H-NbSe₂.     

Bound states in the continuum in a single-level Fano-Anderson model

Bound states in the continuum (BIC) are shown to exist in a single-level Fano-Anderson model with a colored interaction between the discrete state and a structured tight-binding continuum, which may describe mesoscopic electron or photon transport in a semi-infinite one-dimensional lattice. The existence of BIC is explained in the lattice realization as a boundary effect induced by lattice truncation.     

导体球壳上感应电荷及空间电场的分布(2)

本文利用镜象法讨论了在不接地导体球壳附近有点电荷时，空间的电场分布和球壳表面上感应电荷的分布。     

Analyticity and integrability in the chiral Potts model

We study the perturbation theory for the general nonintegrable chiral Potts model depending on two chiral angles and a strength parameter and show how the analyticity of the ground-state energy and correlation functions dramatically increases when the angles and the strength parameter satisfy the integrability condition. We further specialize to the superintegrable case and verify that a sum rule is obeyed.     

Composite Anderson-Newns model and chemisorption characteristics of nickel-hydrogen system

The composite Anderson-Newns model and triangular weighted density of states are used to study the electron density of states, magnetic moment and charge transfer of adatoms for a chemisorbed system. The model has been applied to hydrogen chemisorbed on nickel. It has been observed that with the increase in coverage, number of B-AB states as well as bond strength increases, whereas the magnetic moment and adatom charge decrease with coverage. These results match with the experimental data.     

Analyticity of the density of states in the anderson model on the Bethe lattice

Let H=1/2+V on l²(B), whereB is the Bethe lattice andV(x),x B, are i.i.d.r.v.'s with common probability distribution. It is shown that for distributions sufficiently close to the Cauchy distribution, the density of states(E) is analytic in a strip about the real axis.     

Composite Anderson-Newns model and density of states due to chemisorption: Quasi-chemical approximation

In this paper a variation in density of states (DOS) of the substrate due to chemisorption of hydrogen on transition metals using composite Anderson-Newns model has been investigated for different coverages in quasi-chemical approximation of Fowler and Guggenhiem, which in the limitz→∞ gives the Bragg-Williams approximation as a special case. Variation in density of states has been studied for one-dimensional periodic substrate with change in adatom interaction energy and coverage. With increase in coverage, the bonding and antibonding (B-AB) peaks are found to shift towards higher energies and at the same time relative height of the peaks also increases. The interesting feature to observe is that both approximations for a particular coverage, give split-off states with different height for both (B-AB) peaks. It particularly indicates change in B-AB states, representing amount of chemisorption, with the change in interaction energy between adatoms. At the same time bond strength is also found to decrease with interaction between adatoms.