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.     

Optical Conductivity of Graphene Sheet Including Electron-Phonon Interaction

Using an expression of optical conductivity,based on the linear response theory,the Green's function technique and within the Holstein Hamiltonian model,the effect of electron-phonon interaction on the optical conductivity of graphene plane is studied.It is found that the electron-phonon coupling increases the optical conductivity of graphene sheet in the low frequency region due to decreasing quasiparticle weight of electron excitation while the optical conductivity reduces in the high frequency region.The latter is due to role of electrical field's frequency.     

Magnetic susceptibility and heat capacity of graphene in two-band Harrison model

Using a two-band tight-binding Harrison model and Green's function technique, the influences of both localized σ and delocalized π electrons on the density of states, the Pauli paramagnetic susceptibility, and the heat capacity of a graphene sheet are investigated. We witness an extension in the bandwidth and an increase in the number of Van-Hove singularities as well. As a notable point, besides the magnetic nature which includes diamagnetism in graphene-based nanosystems, a paramagnetic behavior associated with the itinerant π electrons could be occurred. Further, we report a Schottky anomaly in the heat capacity. This study asserts that the contribution of both σ and π electrons play dominant roles in the mentioned physical quantities.     

Phonon-mediated electron pairing in graphene

The possibility of superconducting pairing of electrons in doped graphene due to in-plane and out-of-plane phonons is studied. Quadratic coupling of electrons with out-of-plane phonons is considered in details, taking into account both deformation potential and bond-stretch contributions. The order parameter of electron-electron pairing can have different structures due to four-component spinor character of electrons wave function. We consider s-wave pairing, diagonal on conduction and valence bands, but having arbitrary structure with respect to valley degree of freedom. The sign and magnitude of contribution of each phonon mode to effective electron-electron interaction turns out to depend on both the symmetry of phonon mode and the structure of the order parameter. Unconventional orbital-spin symmetry of the order parameter is found.     

Mass of a lattice polaron from an extended Holstein model using the Yukawa potential

Renormalization of the mass of an electron is studied within the framework of the Extended Holstein model at strong coupling regime and nonadiabatic limit. In order to take into account an effect of screening of an electron-phonon interaction on a polaron it is assumed that the electron-phonon interaction potential has the Yukawa form and screening of the electron-phonon interaction is due to the presence of other electrons in a lattice. The forces are derived from the Yukawa type electron-phonon interaction potential. It is emphasized that the early considered screened force of (Kornilovitch (1998), Spencer et al. (2005), Hague et al. (2006), Hague and Kornilovitch (2009)) Refs. [7], [18], [19] and [22] is a particular case of the force deduced from the Yukawa potential and is approximately valid at large screening radiuses compared to the distances under consideration. The Extended Holstein polaron with the Yukawa type potential is found to be a more mobile than polaron studied in early works at the same screening regime.     

On Superconductivity State in Pure Graphene

We study theoretically the possibility of superconductivity state in pure graphene within the extended attractive Hubbard model. In the absence of disorder, when we use the local attractive interaction potential, U≌5t, where t is hopping term, pure graphene can be in superconductivity state.     

Origin of the acoustic phonon frequency shifts in semiconducting nanoparticles

The surface and size effects on the acoustic phonon properties of semiconducting nanoparticles, such as ZnO, are studied using the s-d model and a Green's function technique. We have shown that the electron-phonon and anharmonic phonon-phonon interactions play an important role in ZnO nanoparticles and must be taken into account in order to explain the experimental data. Due to surface and size effects on the electron-phonon constants, the acoustic phonon frequency and their damping increase with decreasing of particle size.     

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.     

Magnetic moment of phonons in graphene induced by a magnetic field

A magnetic field not only changes the electronic structure in graphene but also affects the phonon excitations via the electron-phonon interaction and even enables the phonons to generate magnetism. In this paper, we evaluate the magnetic moment of phonons in graphene using a generating-functional technique. The calculation results indicate that the phonon magnetic moment exists only in a weak magnetic field. The step-like change of the magnetic moment with the magnetic field reflects a macroscopic quantum effect.     

Analytic Study on Some Properties of the Holstein Model

A new ansatz is presentedfor analytic study of the properties of the Holstein model. New analytic resultsfor the polaronic band structure, ground state energy, phonon distribution, hopping probability of electron, and effectivemasses, of the Holstein molecular crystal model, are given in one dimension. All the analytic results obtained are inaccord with the numerical results completed recently and valid both in the adiabatic and nonadiabatic regimes, andaccurate enough in the region of validity.     

On the composition-dependent isotope effect of HTSC in the two-band model

The oxygen isotope effect in high-T_C superconductors has been investigated on the basis of a two-band model where superconducting phase transition is induced by interband (mainly Coulombic) interaction. The isotope shift of T_C appears due to the dependence of averaged interband electronphonon coupling constant on oxygen mass. This coupling has a repulsive nature and gives a relatively small contribution to the total interaction inducing superconductivity. The calculated isotope effect exponent depending on the carrier concentration has been compared with the experimental one as a function of x for La_2-xSr_xCuO₄.     

A New Variational Study for Two-Site Holstein Model

A variational approach is developed to study the groundstate (GS) of the two-site Holstein model. By the extended coherent state, where the more phonon correlations are easily incorporated, we can get the very accurate ground state energy for all electron-phonon coupling range in typical values of hopping integral t=0.5,1.1, and 2.1 (in units of phonon frequency ω₀), which covers the crossover region from antiadiabatic limit to the adiabatic limit. Within a very wide t range [0,2.7], the exact results for the GS energy are obtained with the twelfth (fourteenth) order corrections to the zeroth order wave function. Moreover, the present approach is more concise than any other analytical ones in this field, and hopefully can be easily generalized to many other Holstein models.     

Low-temperature phases of itinerant fermions interacting with classical phonons: The static Holstein model

We consider models of independent itinerant fermions interacting with classical continuous or discrete variables (spins), the static Holstein model being a special case. We prove for all values of the fermion-spin coupling and a special value of the fermion chemical potential and classical magnetic field, at which the average fermion density is one-half and the average total spin is zero, that there are two degenerate ground states of period two with antiferromagnetic order for the spins and fermions. The existence of two corresponding low-temperature phases is proven for large coupling and dimension two or more by using a Peierls argument. This generalizes results of Kennedy and Lieb for the Falicov-Kimball model.Dedicated to Philippe Choquard on the occasion of his 65th birthday.     

石墨烯中新奇量子物态的研究

石墨烯特殊的晶格结构和能带结构赋予了它独特的电学性质.近年来,分数量子霍尔态、魔角石墨烯中的关联绝缘体态和超导态等现象的发现不断证明着石墨烯是一种理想的二维模型体系,可用于实现一系列新奇的量子物态,对石墨烯中新奇量子物态的探测和调控也一直是凝聚态物理领域的前沿研究热点之一.本文将系统地介绍近年来石墨烯中对称性破缺量子物态的研究进展,包括平带中强关联量子物态的研究以及谷赝自旋调控的研究,并介绍一种在纳米尺度、单电子精度上探测二维材料体系简并度及对称性破缺态的普适方法,希望为相关领域的研究人员提供参考和借鉴.     

Electron-interface-optical-phonon interaction in rectangular quantum wire and quantum dot

Under the dielectric continuum model and separation of variables, the interface optical (IO) phonon modes and electron-optical-phonon interaction in rectangular quantum wire and quantum dot embedded in a nonpolar matrix are studied. We found that there exist various types of IO phonon modes in rectangular nanostructures. The IO phonon modes in rectangular quantum wire include IO-propagating (IO-PR) and IO-IO hybrid phonon modes, while the IO phonon modes in rectangular quantum dot contain IO-IO-PR and IO-PR-PR hybrid phonon modes. The results of numerical calculation show that these hybrid phonon modes contain corner optical (CO) phonon modes and edge optical (EO) phonon modes. The potential applications of these results are also discussed.     

Electron-phonon interaction in hemispherical quantum dot

Within the framework of the dielectric continuum (DC) model, the optical phonon modes and electron-optical-phonon interaction in hemispherical quantum dot are investigated. The proper eigenfunctions for longitudinal optical (LO) and interface optical (IO) phonon modes are constructed. After having quantized the eigenmodes, we derive the Hamiltonian operators describing the LO and IO phonon modes as well as the corresponding Fröhlich electron-phonon interaction. The dispersion relation of IO phonon modes is size independent. The potential applications of these results are also discussed.     

Calculated effects of charge fluctuations on the phonon dispersion of YBa2Cu3O6 and YBa2Cu3O7. I. The model

In this paper we present a microscopic model that allows us to study the effects of charge fluctuations on the phonon dispersion of the high-temperature superconductor YBa₂Cu₃O₇ and its insulating counterpart, YBa₂Cu₃O₆. An ab-initio rigid-ion model with pair potentials calculated by the Gordon-Kim method from the free-ion charge densities is used as a reference system. Starting from this reference system, charge fluctuations at the copper- and oxygen ions are introduced into the model. The charge fluctuations are treated as adiabatic degrees of freedom in a non-phenomenological way. The parameters entering the model are estimated consistently with the reference system from first principles rather than refering to the experimentally determined phonon dispersion. In addition to the metallic behavior (appropriate to YBa₂Cu₃O₇) obtained in this way, insulating behavior (appropriate to YBa₂Cu₃O₆) is simulated by requiring the polarizability function to fulfill a corresponding long. wavelength sum rule. Screened site-potential changes are defined that (besides the charge fluctuations) constitute a qualitative measure of the electron-phonon-interaction potential. Furthermore we investigate the long-wavelength limiting behavior of the most important quantities occurring in our formalism. We derive formulae that allow us to calculate the contribution of the charge fluctuations to the macroscopic dielectric constant and the transverse effective charges in the insulating phase.