New Energy Spectra Structure of Polaron in Trans-Polyacetylene

In the weakly coupled electron-phonon systems, the existing theory pointed out that the energy spectra of polaron include four electronic bound states. Our work shows that, due to the non-nearest neighbor hopping interactions, the electron-hole symmetry of the energy band structure implied by SSH model is broken, and the numbers of the bound electronic states are changed. For a negative charged polaron, one new bound state is found near the bottom of conduction band, and the original two bound states below the bottom of the valence band and above the top of the conduction band disappear. For a positive charged polaron, five bound states have been found: one of them is an additional bound state at the top of the conduction band, the others are just the states found in the SSH model. Besides, the energy gap 2Δ is slightly shifted by turning on the long-range hopping interactions.     

Na掺杂反式聚乙炔中的孤子晶格的能谱与电子束缚态

从离散的ＳＳＨ模型出发，考虑了链内的电子相互作用，以及由杂质和周围链上的荷电孤子产生的库仑势的影响，探讨了各种掺杂浓度的反式聚乙炔中孤子晶格的能谱与电子束缚态。计算结果表明：在孤子晶格的能谱中，在价带底有两条定域能级，在导带顶存在着多个电子束缚态，随掺杂浓度的升高，束缚态的局域性减弱，禁带中的孤子能级形成孤子能带。当掺杂浓度高达１６．６７％时，所有的电子束缚态都消失，转变为扩展态。孤子晶格的禁带宽度随着掺杂浓度的增加而增大，最高占据态与导带底之间的能隙则随之逐渐减小。孤子能带底与价带顶之间的能隙在临界浓度附近有一极大值。还讨论了电子－电子相互作用对孤子晶格能谱的影响。 关键词：     

次近邻电子跳跃对孤子的电子束缚态和孤子附近局域模的影响

从SSH模型出发,考虑电子次近邻跳跃的影响,研究了聚乙炔中孤子的电子束缚态和孤子附近的局域振动模。结果发现:1.电子能谱中的电子-空穴对称性消失;2.孤子的电子束缚态的数目和位置发生了变化,且与孤子的类型有关;3.孤子附近出现了一个新的局域振动模G₆;4.次近邻电子跳跃改变了局域模的频率,增强了局域模的局域性。 关键词：     

聚乙炔极化子的新电子束缚态

本文用自洽迭代的方法研究了SSH模型中极化子的电子能谱。结果发现,除了禁带中两个在TLM模型中存在的深能级电子束缚态外,还存在四个浅能级的电子束缚态。它们形成分立的能级,并分别位于导带的顶部和底部以及价带的顶部和底部。价带顶和导带底的两个束缚态只在一定的耦合参量λ范围内出现。 关键词：     

Experimental evidence of the hybridization of the electron states of an impurity and the conduction band in the HgSe:Fe system

X-ray absorption spectra from iron donor impurities in mercury selenide have been analyzed in a concentration range where the Fermi energy of conduction electrons is close to the energy of the donor d level. At high impurity concentrations, the resulting spectrum corresponds to the completely filled donor state and coincides with the spectrum of a bivalent iron ion. A transition to an intermediate-filling state is observed with decreasing the concentration. The spectra are quantitatively analyzed in a model implying the existence of a mixture of ions that contain and do not contain a donor electron in a bound state. It has been found that such a model is significantly inconsistent with the experimental data. It has been shown that the concentration dependence of the x-ray spectra corresponds to the manifestation of the significant hybridization of localized and delocalized donor electron states in the conduction band.     

电子相互作用对聚乙炔中极化子电子态的影响

本文根据SSH和Hubbard模型研究了电子相互作用对聚乙炔中极化子的电子态的影响。结果发现:1.电子相互作用使能隙中出现了一个新的电子束缚态,它是靠近价带的浅能级;2.电子相互作用使得价带下面的一个电子束缚态消失,同时在导带上面出现了两个电子束缚态。 关键词：     

Electrical properties of CuTlSe2 in the liquid state

The electrical conductivity and thermoelectric power of CuTlSe₂ have been investigated as a function of temperature up to 230 °C above its melting point. In the liquid state the experimental data are analyzed in terms of a model developed for the density of states and electrical transport in solid amorphous semiconductors (Mott, 1970). Positive thermoelectric power suggests a large predominance of holes in electrical conduction. It appears that the conduction is due to holes in extended states near the band edge. It is found that the energy gap has a large temperature coefficient =5.5×10^–4eV/K.     

Bound fermion states in the field of a soliton of the nonlinear O(3) σ model

The (2 + 1)-dimensional nonlinear O(3) σ model whose n field is coupled to the fermion field by the Yukawa interaction has been examined. The cases of the isosinglet and isodoublet fermion fields with respect to the internal symmetry group have been considered. It has been shown that bound states of the fermion in the n field of a soliton of the nonlinear O(3) σ model exist for some variants of the Yukawa interaction. The absence of zeroth fermion modes in the n field of the soliton has been established. The properties of the ground state of the fermion have been numerically studied. In particular, it has been shown that an increase in the spatial size of the soliton results in a decrease in the energy of the ground state. This leads to the instability of the soliton in a certain region of the parameters of the model.     

荷电孤子的电子束缚态

现有理论认为聚乙炔中的孤子只具有一个电子束缚态——midgap态。本工作发现,由于电子之间存在相互作用,且高分子链具有分立的原子结构,荷电孤子在能隙中应具有两个电子束缚态:一个是深能级,它离能隙中央0.2eV;一个是浅能级,离带边0.06eV。反式聚乙炔的光致吸收光谱证实了此理论。 关键词：     

Hubbard电子强关联与site-type杂质势对反式聚乙炔电子态的影响

本文在苏武沛、Schrieffer和Heeger(SSH)模型的基础上,分别考虑site-type杂质势和Hubbard电子强关联的作用,计算了反式聚乙炔链的电子能谱、本征矢和序参量。结果发现,杂质势对孤子有较强的钉扎作用,它破坏了电子能谱对称性,并使midgap态发生移动,这与Hubbard电子强关联对孤子能级的影响根本不同。值得指出的是,只有同时考虑site-type杂质势和Hubbard相互作用,才能对聚乙炔的掺杂光吸收实验做出正确的理论解释。     

Intrinsic electron accumulation at clean InN surfaces

The electronic structure of clean InN(0001) surfaces has been investigated by high-resolution electron-energy-loss spectroscopy of the conduction band electron plasmon excitations. An intrinsic surface electron accumulation layer is found to exist and is explained in terms of a particularly low Gamma-point conduction band minimum in wurtzite InN. As a result, surface Fermi level pinning high in the conduction band in the vicinity of the Gamma point, but near the average midgap energy, produces charged donor-type surface states with associated downward band bending. Semiclassical dielectric theory simulations of the energy-loss spectra and charge-profile calculations indicate a surface state density of 2.5 (+/-0.2)x10(13) cm(-2) and a surface Fermi level of 1.64+/-0.10 eV above the valence band maximum.     

Influence of soliton distributions on the spin-dependent electronic transport through polyacetylene molecule

In this paper, a detailed numerical study of the role of selected soliton distributions on the spin-dependent transport through trans-polyacetylene (PA) molecule is presented. The molecule is attached symmetrically to magnetic semi-infinite three-dimensional electrodes. Based on Su– Schrieffer–Heeger (SSH) Hamiltonian and using a generalized Green’s function formalism, we calculate the spin-dependent currents, the electronic transmission and tunnelling magnetoresistance (TMR). We found that the presence of a uniform distribution of the soliton centres along the molecular chain reduced the size of the band gap of trans-PA molecule. Moreover, a sublattice of the correlated solitons as binary clusters, which are randomly distributed along the chain, can induce extended electronic states in the band gap of the molecule. In this case, the band gap of the molecule is suppressed and at lower voltages, the TMR bandwidth is narrowed. The current–voltage characteristic then shows an ohmic-like behaviour.     

聚对苯撑[poly(p-phenylene)]的基态、极化子和双极化子激发态

本文在紧束缚模型基础上,对聚对苯撑类材料提出一简单的哈密顿量,并计算了系统的能带结构,给出基态、极化子、双极化子激发态,得到了双极化子比两个单极化子更容易激发这一重要结论。在能带中除发现能隙内的两个极化子定域能级外,还发现导带和价带都要发生二劈裂,带边上出现浅能级,它们对应的电子态均是定域的。 关键词：     

A resonant photoemission model for nickel metal

We present a model for the resonance near the 3p threshold in the photoemission associated with a static 3d pair-hole bound state in paramagnetic nickel. We show that, following Auger processes, the strong intra-atomic screening of the pair hole by the 4s?4p conduction band electrons is essential to explain experimental photoemission data not only in copper but also in nickel. From the energy relaxation of the conduction band states we estimate the bare Coulomb interaction between two d-holes in nickel.     

Novel multi-band quantum soliton states for a derivative nonlinear Schrödinger model

We show that localized N-body soliton states exist for a quantum integrable derivative nonlinear Schrödinger model for several nonoverlapping ranges (called bands) of the coupling constant η. The number of such distinct bands is given by Euler's φ-function which appears in the context of number theory. The ranges of η within each band can also be determined completely using concepts from number theory such as Farey sequences and continued fractions. We observe that N-body soliton states appearing within each band can have both positive and negative momentum. Moreover, for all bands lying in the region η>0, soliton states with positive momentum have positive binding energy (called bound states), while the states with negative momentum have negative binding energy (anti-bound states).     

The effective action of a spin 1/2 field in the background of a nontopological soliton

We generalize a new method of calculating the effective action for fields in a spherically symmetric background to the case of a spin 1/2 field whose mass is a function ofr=|x|, as it is the case in the nontopological soliton model of Friedberg and Lee. The quantum corrections to the soliton energy are sizeable, of the same order as the bound state energies that stabilize the soliton.     

Soliton dynamics in a spin nematic

One-dimensional localized waves, which can be considered as soliton elementary excitations, exist in a magnet with a unit spin and comparable bilinear and biquadratic spin-spin interactions, with which the state of spin nematic is realized. These excitations are characterized by a certain momentum P and a certain energy E. The structure of these solitons has been found, and the E = E(P) dependence, which plays the role of the dispersion law of these soliton elementary excitations, has been constructed. The energy of a soliton with a certain momentum is shown to be lower than that of the quasiparticles of a linear theory. At small momenta, these E = E(P) dependences of the soliton and quasiparticles coincide asymptotically. The dependence of the soliton energy on the soliton momentum is a periodic function with a period P ₀ = π?/a, whose value does not depend on exchange integrals and depends only on a single crystal parameter, namely, the interatomic distance a. These soliton excitations have common features with the so-called Lieb states, which are well known in many condensed matter models.     

Electronic structure of QD arrays: application to intermediate-band solar cells

Intermediate band solar cells (IBSC) have been proposed as a potential design for the next generation of highly efficient photo-voltaic devices. Quantum nanostructures, such as quantum dots (QD), arranged in super-lattice (SL) arrays produce a mini-band (IB) that is separated by a region of zero density of states from other states in the conduction band. Additional absorption from the valence band to the IB and IB to the conduction band allows two photons with energies below the energy gap to be harvested in generating one electron-hole pair. We present a theoretical study of the electronic and optical properties of the IB formed by an InAs/GaAs QD array. The calculations are based on an 8-band k · p Hamiltonian, incorporating mixing between valence and conduction states, strain and piezoelectric field. Theoretical results of the the mini-band width variation with the period of the QD array in the z direction are presented. For one particular spacer distance, d _z = 4 nm, we report detailed variation of the optical dipole matrix elements through the mini-band and identify the character of the states involved. This approach captures the essential physics of the absorption processes in a realistic model of the IBSC structure and will be used to provide input parameters for predictive modelling of transport properties.     

Wave function collapses and 1/n energy spectrum induced by a Coulomb potential in a one-dimensional flat band system

We investigate the bound state problem in a one-dimensional flat band system with a Coulomb potential. It is found that, in the presence of a Coulomb potential of type I (with three equal diagonal elements), similarly to that in the two-dimensional case, the flat band could not survive. At the same time, the flat band states are transformed into localized states with a logarithmic singularity near the center position. In addition, the wave function near the origin would collapse for an arbitrarily weak Coulomb potential. Due to the wave function collapses, the eigen-energies for a shifted Coulomb potential depend sensitively on the cut-off parameter. For a Coulomb potential of type II, there exist infinite bound states that are generated from the flat band. Furthermore, when the bound state energy is very near the flat band, the energy is inversely proportional to the natural number, e.g.,$E_n\propto$ 1/n, n=1,2,3,... It is expected that the 1/n energy spectrum could be observed experimentally in the near future.     

Multibaryons with strangeness, charm and bottom

The spectra of baryonic systems with strangeness, charm and bottom are considered within a “rigid oscillator' version of the bound state soliton model. The static properties of multiskyrmions, of baryon number up to B=8, are calculated using the recently suggested rational map ansaetze as starting field configurations. The property of binding of flavoured mesons by an SU(2) skyrmion is proved rigorously within this model. Binding energy estimates are made of the states with largest isospin which can appear as negatively charged nuclear fragments and for states with zero isospin – fragments of “flavoured' nuclear matter. It is shown that for all types of flavour and for the isoscalar baryonic systems have a better chance to be stable against strong and electromagnetic interactions than those with nonzero isospin. Baryonic systems with charm or bottom quantum numbers are found to be bound more than strange baryonic systems. Received: 21 September 1999 / Revised version: 1 February 2000 / Published online: 27 November 2000