Instanton in disordered Peierls systems

We study disordered Peierls systems described by the fluctuating gap model. We show that the typical electron states with energies lying deep inside the pseudogap are localized near large disorder fluctuations (instantons), which have the form of a soliton-antisoliton pair. Using the “saddle-point” method we obtain the average density of states and the average optical absorption coefficient at small energy.     

Localization lengths in disordered Peierls systems

We have studied the influence of bond- and site-type impurities on the ground state properties of one-dimensional Peierls systems. Using a functional integral formalism with both commuting and anticommuting variables we have calculated the averaged Green's function which determines the electronic density of states and localization length (Thouless formula). Some limiting cases can be solved analytically. To apply our model to doped polymers we derive the connection between doping concentration and disorder strengths D_j. For illustration we present the results with parameters appropriate for polyacetylene.     

Improved Peierls Argument for High-Dimensional Ising Models

We consider the low-temperature expansion for the Ising model on , with ferromagnetic nearest neighbor interactions in terms of Peierls contours. We prove that the expansion converges for all temperatures smaller than Cd(log d)^–1, which is the correct order in d.     

An improvement of the Peierls equation by taking into account the lattice effects

An improvement of the Peierls equation has been made by including the lattice effects. By using the non-trivially gluing mechanism for the simple cubic lattice, in which atoms interact with its first and second nearest neighbours through a central force, the dislocation equation has been derived rigorously for the isotropic case. In the slowly varying approximation, the Peierls equation with the improvement by including the lattice effects has been obtained explicitly. The new equation can be used to substitute for the old one in theoretical investigations of dislocations. The major change of the predicted dislocation structure is in the core region. The width of the dislocation given by using the new equation is about three times that given by the classical Peierls--Nabarro theory for the simple cubic lattice.     

Peierls Instability for the Holstein Model with Rational Density

We consider the static Holstein model, describing a chain of fermions interacting with a classical phonon field, when the interaction is weak and the density is a rational number p = P/Q, with P, Q relative prime integers. We show that the energy of the system, as a function of the phonon field, has one (if Q is even) or two (if Q is odd) stationary points, defined up to a lattice translation, which are local minima in the space of fields periodic with period equal to the inverse of the density.     

Solitons and (spin-)Peierls transition in disordered quasi-one-dimensional systems

We study the (spin-)Peierls transition in quasione- dimensional disordered systems, treating the lattice classically. The role of kinks, induced thermally and by disorder, is emphasized. For weak interchain interaction the kinks destroy the coherence between different chains at a temperature significantly lower than the mean-field Peierls transition temperature. We formulate the effective Ising model, which describes such a transition, investigate the doping dependence of the (spin-)Peierls transition temperature and discuss several implications of the picture developed. The results are compared with the properties of the spin-Peierls system CuGeO₃.     

The Peierls stress for coupled dislocation partials near a free surface

The effect of a free surface on the Peierls stress of a perfect dislocation, as well as on one of two dislocation partials under a free surface, has been accounted for by considering the Lubarda–Markenscoff variable-core dislocation model (VCM). The VCM dislocation smears the Burgers vector, while producing on the slip plane the Peierls–Nabarro sinusoidal relation between the stress and the slip discontinuity with a variable width. Here the core radius is allowed to depend on the distance to the free surface and the other partial. The Peierls stress is computed as a configurational force by accounting for all the energies and the image stresses to satisfy the traction-free boundary conditions. The results are applied to aluminum and copper and comparisons are made with atomistic calculations in the literature that show that the partials merge as they approach the free surface.     

Peierls相变与磁场中碳纳米管的场发射

应用紧束缚模型和WKB方法研究碳纳米管的out-of-plane型Peierls相变,及其对碳纳米管的场发射的影响.结果发现Peierls相变会在室温出现,并使碳纳米管费米面附近出现能隙,导致碳纳米管发生金属—半导体转变,从而抑制碳纳米管的场发射.磁场也会抑制Peierls形变,Peierls相变和磁场相互竞争影响碳纳米管的能带结构,从而影响碳纳米管的场发射. 关键词： 场发射 碳纳米管 Peierls相变     

轨道诱导Peierls相变材料MgTi2O4的电子自旋共振研究

用变温电子自旋共振手段,对轨道诱导Peierls相变MgTi2O4体系进行了研究。研究发现,轨道诱导Peierls相变所伴随的自旋二聚相变对ESR谱产生了影响。在相变温度以上,MgTi2O4的磁性为顺磁行为。而在相变温度以下,ESR谱显示MgTi2O4的磁性偏离了顺磁行为。对ESR谱线的参数拟合结果显示,MgTi2O4在发生轨道诱导Peierls相变时,自旋耦合作用逐渐增强。这说明:自旋耦合作用的增强很有可能是导致相变的一个重要的因素。     

Dislocation energy and calculation from Peierls stress： a rigorous the lattice theory

In the classical Peierls--Nabarro (P-N) theory of dislocation, there is a long-standing contradiction that the stable configuration of dislocation has maximum energy rather than minimum energy. In this paper, the dislocation energy is calculated rigorously in the context of the full lattice theory. It is found that besides the misfit energy considered in the classical P-N theory, there is an extra elastic strain energy that is also associated with the discreteness of lattice. The contradiction can be automatically removed provided that the elastic strain energy associated with the discreteness is taken into account. This elastic strain energy is very important because its magnitude is larger than the misfit energy, its sign is opposite to the misfit energy. Since the elastic strain energy and misfit energy associated with discreteness cancel each other, and the width of dislocation becomes wide in the lattice theory, the Peierls energy, which measures the height of the effective potential barrier, becomes much smaller than that given in the classical P-N theory. The results calculated here agree with experimental data. Furthermore, based on the results obtained, a useful formula of the Peierls stress is proposed to fully include the discreteness effects.     

TTF-TCNQ的Peierls相变研究

根据建立在电子-声子相互作用基础上的Peierls相变理论，利用形变势模型和半经验晶体轨道方法计算的能带结构数据，对一维有机导体TTF-TCNQ的Peierls相变温度进行了计算，结果表明,TTF链的相变温度低于TCNQ链的相变温度，从而说明前者的电子-声子耦合相互作用比后者要弱,TTF-TCNQ在54K的金属-绝缘体相变主要发生在TCNQ链上. 关键词： 一维有机导体 Peierls相变温度 电子-声子相互作用     

轨道诱导Peierls相变材料MgTi_2O_4的电子自旋共振研究

用变温电子自旋共振手段(Electron Spin Resonance,ESR),对轨道诱导Peierls相变MgTi_2O_4体系进行了研究.研究发现,轨道诱导Peierls相变所伴随的自旋二聚相变对ESR谱产生了影响.在相变温度以上,MgTi_2O_4的磁性为顺磁行为.而在相变温度以下,ESR谱显示MgTi_2O_4的磁性偏离了顺磁行为.对ESR谱线的参数拟合结果显示,MgTi_2O_4在发生轨道诱导Peierls相变时,自旋耦合作用逐渐增强.这说明:自旋耦合作用的增强很有可能是导致相变的一个重要的因素.     

一维有机导体的Peierls相变研究

根据建立在电子-声子相互作用基础上的Peierls 相变理论，利用形变势模型和半经验晶体轨道方法计算的能带结构数据，对一维有机导体tetrathiafulvalene-tetracyanoquinodimethane的Peierls相变温度进行了计算.并对其金属-绝缘体相变机制进行了讨论. 关键词： 电子-声子相互作用 Peierls相变温度 一维有机导体     

An exact limit for the Peierls distortion energy in an antiferromagnetic chain by means of a renormalization procedure

A renormalization procedure gives a rigorous upper bound for the ground-state energy per spin for a Peierls-distorted antiferromagnetic chain with Heisenberg interaction.     

Quasi-one Dimensional Topological Insulator: Möbius Molecular Devices in Peierls Transition

We show that, assisted by the Peierls transition of lattice, as a quasi-one dimensional (Q1D) tight binding system, a Möbius molecular device can behave as a simple topological insulator. With the Peierls phase transition to form a domain wall, the solitonary zero modes exist as the ground state of this electron-phonon hybrid system, which is protected by the Z₂ topology of the Möbius strip. The robustness of the ground state prevents these degenerate zero modes from their energy spectrum splitting caused by any perturbation.     

DC Conductivity and Peierls instability in the quasi-one-dimensional organic charge density wave conductor (fluoranthene)2X

Due to the high anisotropy of the dc conductivity (σ_|/σ_⊥ ≈ 10⁴) the organic conductor (fluoranthene)₂X can be regarded as a model system for studying the Peierls instability in quasi-one-dimensional systems. The temperature dependence of the dc conductivity σ_| (T) along the highly conducting crystal axis exhibits the typical behaviour of a quasi-one-dimensional metal with a Peierls transition at about 180 K to a charge density wave (CDW) ground state. As expected for a highly one-dimensional conductor the exact transition temperature depends on three-dimensional coupling effects and therefore on the size of the counterion X^? = PF, AsF, SbF. Above the Peierls transition σ_| (T) can be described quantitatively within a model of CDW fluctuations leading to a pseudo gap in the electronic density of states. Below, the existence of a real energy gap at the Fermi level with a BCS-like temperature dependence determines the charge transport over more than eight orders of magnitude in the electrical resistance. For the intrinsic energy gaps 2 Δ (0), which characterize the ground state of the Peierls semiconductor, values of 120-180 meV have been found for different crystals.     

Fluctuation susceptibility relations for classical spin systems

We prove identities between integrated Ursell functions and derivatives of the pressure in the thermodynamic limit, for multicomponent classical spin systems which obey the Lee-Yang theorem and some form of Gaussian domination, when the susceptibility is finite (T>T _c). Following Refs. 3 and 4, we view the moment generating function of the magnetization as the inverse of an infinitely divisible characteristic function. Fluctuation susceptibility relations of all orders then follow by bounding the corresponding cumulants, taken in zero external field. High-order cumulants are bounded in terms of the susceptibility using Gaussian and Simon's inequalities for short-range interactions.