Localized molecular constraint on electron delocalization in a metallic chain

An artificial quantum structure consisting of a single CO molecule adsorbed on a Au chain was assembled by manipulating single Au atoms on NiAl(110) at 12 K with a scanning tunneling microscope (STM). The CO disrupts the delocalization of electron density waves in the chain, as it suppresses the coupling between neighboring chain atoms. The possibility to specify the CO position on the chain allows controlled modification of the electronic properties in a quantum system. Inelastic electron tunneling spectroscopy with the STM provides vibrational characterization of the adsorbed CO.     

Effect of defects in regular nanosystems on interference processes at the reemission of attosecond electromagnetic pulses

The effect of defects in nanostructured targets on interference spectra at the reemission of attosecond electromagnetic pulses has been considered. General expressions have been obtained for calculations of spectral distributions for one-, two-, and three-dimensional multiatomic nanosystems consisting of identical complex atoms with defects such as bends, vacancies, and breaks. Changes in interference spectra by a linear chain with several removed atoms (chain with breaks) and by a linear chain with a bend have been calculated as examples allowing a simple analytical representation. Generalization to two- and three-dimensional nanosystems has been developed.     

Transport properties of a random binary side-coupled chain

We investigate the transport properties of a random binary side-coupled chain by using the transfer-matrix technique. It is found that there are resonant states in the systems with short-range correlations between the host chain atoms and the side-coupled atoms. The analytic expressions for the extended states are also presented in the systems with the side couplings between like atoms and between unlike atoms.     

Micropolar beam model for nanocrystalline material consisting of linear chains of atoms

A discrete model of a linear chain of atoms has been developed with regard to the noncentral and rotational (moment) interactions between atoms. The transition from a discrete to continuous model is performed. It is shown that the obtained continuous model of a chain of atoms coincides with the model of the applied micropolar beam model. Lagrangians for the discrete and continuous models of linear chains of atoms are constructed.     

Frequency spectra of one-dimensional lattices with impurities distributed at random

The phonon frequency spectrum has been calculated for a linear atomic chain doped at random with atoms of another mass and bound with another force constant than the host chain. Narrow bands above the maximum frequency of the undisturbed chain as well as peaks superimposed on the spectrum have been found and are discussed.     

Delay of Spatial Quantum Correlations in Magnetic Nanostructures

Simultaneous quantum correlations between two spins in magnetic nanostructures are considered in the model of a linear chain of a finite number of atoms with exchange interaction between electron spins of neighboring atoms in the framework of the Heisenberg ferromagnetism theory. We assume that in the initial state, the spins of all chain atoms except the first two are oriented along the same direction. The spins of the first two atoms are flipped. Due to the exchange interaction, this initial state generates a spin flip wave along the chain. The expressions obtained for nonstationary quantum amplitudes of the flip probability waves for an even number of spins can be used for calculating quantum correlations between two spins separated by a large distance in a chain. Numerical calculations of the spin correlator reveal that the correlation between two spins in the chain occurs with a delay on the order of the time of propagation of the exchange interaction along the spin chain. After the delay, the spin correlation amplitude abruptly increases followed by subsequent oscillatory temporal behavior.     

Equilibrium distribution of the wave energy in a carbyne chain

The steady-state energy distribution of thermal vibrations at a given ambient temperature has been investigated based on a simple mathematical model that takes into account central and noncentral interactions between carbon atoms in a one-dimensional carbyne chain. The investigation has been performed using standard asymptotic methods of nonlinear dynamics in terms of the classical mechanics. In the first-order nonlinear approximation, there have been revealed resonant wave triads that are formed at a typical nonlinearity of the system under phase matching conditions. Each resonant triad consists of one longitudinal and two transverse vibration modes. In the general case, the chain is characterized by a superposition of similar resonant triplets of different spectral scales. It has been found that the energy equipartition of nonlinear stationary waves in the carbyne chain at a given temperature completely obeys the standard Rayleigh–Jeans law due to the proportional amplitude dispersion. The possibility of spontaneous formation of three-frequency envelope solitons in carbyne has been demonstrated. Heat in the form of such solitons can propagate in a chain of carbon atoms without diffusion, like localized waves.     

Self-assembly of one-dimensional surface structures: long-range interactions in the growth of Ir and Pd on W(110)

Self-assembly of one-dimensional surface structures is examined by tracking single Ir and Pd atoms on W(110) as they incorporate into chains of Ir and Pd, respectively. Ir adatoms move parallel to the chains, but do not come close to the chain sides; incorporation occurs only at the ends. Pd adatoms also migrate parallel to Pd chains, and incorporate at the ends. Occasionally, in the end region, they do jump to the side of a chain, and migrate there until they find an end site. Incorporation behavior for both Ir and Pd is driven by highly anisotropic, long-ranged interactions between atoms on the surface.     

A model for the chain-to-plane charge transfer in YBa2Cu3O6+x

A model for the chain-to-plane charge transfer is proposed to account for the two plateaus,at 60 K and at 90 K,of the Tc(x) characteristics of the YBa2Cu3O6+x high-Tc superconductor.It is assumed that the number of holes transferred from a CuO chain of length l to two nearby CuO2 sheets is proportional to l(that is,to the number of oxygen atoms in the chain),if the chain length is greater than,or equal to,a certain critical chain length,lcr,that is required to trigger the charge transfer process.No holes are assumed to have been transferred from chains of length l相似文献   

Electronic density oscillations in gold atomic chains assembled atom by atom

Linear Au chains two to 20 atoms long were constructed on a NiAl(110) surface via the manipulation of single atoms with a scanning tunneling microscope. Differential conductance (dI/dV) images of these chains reveal one-dimensional electronic density oscillations at energies 1.0 to 2.5 eV above the Fermi energy. The origin of this delocalized electronic structure is traced to the existence of an electronic resonance measured on single, isolated Au atoms. Variations in the wavelength in dI/dV images of an eleven-atom chain taken at different energies revealed an effective electronic mass of 0.4+/-0.1 times the mass of a free-electron.     

A mechanism for generation of strong energy fluctuations in one-dimensional systems

A mechanism for the generation of strong energy fluctuations in a chain of harmonically and anharmonically coupled atoms in a state of thermodynamic equilibrium has been investigated by a molecular dynamics method. Energy fluctuations multiply exceeding the mean value were localized in a group of three to five atoms with lifetime on the order of an atomic vibrational period. They arise as a consequence of collisions of density waves propagating along the chain. A collision of waves of the same density sign leads to a fluctuation of the potential energy, while for differing signs a fluctuation in the kinetic energy occurs. In particular, collision of dilitatin waves leads to thermal breaking of the chain. The energy concentration at the moment of collision is 30% greater in a harmonic chain than in an anharmonic one.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 5, pp. 47–52, May, 1991.     

Oxidation of the Si(001) surface: lateral growth and formation of P(b0) centers

More than 100 oxygen-adsorbed configurations with oxygen coverage of up to two monolayers (ML) were studied through first-principles calculations. It was found that oxidation proceeds almost laterally. When the coverage exceeds 1.25 ML, oxygen atoms introduced between the second and third layers are captured at a bridging site in the second layer, generating twofold-coordinated Si atoms. Emission of such twofold-coordinated Si atoms leaves weakly bonded Si pairs in the fourth layer. When such pairs happen to be generated close to each other, they transform into a chain of Si trimers with one P(b0) center at each end.     

Polarization bremsstrahlung at collisions of fast ions with multiatomic targets

The processes of polarization bremsstrahlung at collisions of fast ions with linear chains consisting of isolated atoms have been considered. The intensities and angular distributions of radiation spectra have been obtained for an arbitrary number of atoms in a chain. It has been shown that the interference of the photon emission amplitudes leads to a noticeable change in the spectral angular distributions of polarization bremsstrahlung as compared to the distributions at collisions with an isolated atom. The results allow standard generalization to the cases of polarization bremsstrahlung at channeling of fast ions over surfaces and in solid lattices.     

一种制备单原子碳链的方案

考虑到迄今为止实验上尚不能制备含有上百个原子的自由单原子链,本文提出利用探针从graphene中拉伸较长单原子碳链的设想,并通过分子动力学计算发现,室温下可以利用C60探针以1 m/s的速度从graphene的zigzag边缘拉出较长的一维单原子碳链,为实验提供了一种制备单原子碳链的可能方案. 关键词： 碳链 一维 分子动力学 探针     

Current-induced embrittlement of atomic wires

Recent experiments suggest that gold single-atom contacts and atomic chains break at applied voltages of 1 to 2 V. In order to understand why current flow affects these defect-free conductors, we have calculated the current-induced forces on atoms in a Au chain between two Au electrodes. These forces are not by themselves sufficient to rupture the chain. However, the current reduces the work to break the chain, which results in a dramatic increase in the probability of thermally activated spontaneous fracture of the chain. This current-induced embrittlement poses a fundamental limit to the current-carrying capacity of atomic wires.     

Frequency spectrum of the mixed diatomic chain AxB1−xC

We present an exact formalism for the frequency spectrum of the mixed chain of oscillators A_xB_1-xC obtained from a diatomic chain ACACA;.. by random substitution of some A atoms by B atoms.     

Defect-induced conductance oscillations in short atomic chains

Electronic transport through a junction made of two gold electrodes connected with a gold chain containing a silver impurity is analyzed with a tight binding model and the density-functional theory. It is shown that the conductance depends in a simple way on the position of the impurity in the chain and the parity of the total number of atoms of the chain. For an odd chain the conductance takes on a higher value when the Ag impurity substitutes an even Au atom in the chain, and a lower one for an odd position of the Ag atom. In the case of an even chain the conductance hardly depends on the position of the Ag atom. This new kind of a defect-induced parity oscillation of the conductance is significantly more prominent than the well-known even-odd effect related to the dependence of the conductance on the parity of number of atoms in perfect chains.     

Mobility edge phenomenon in a Hubbard chain: A mean field study

We show that a tight-binding one-dimensional chain composed of interacting and non-interacting atomic sites can exhibit multiple mobility edges at different values of carrier energy in presence of external electric field. Within a mean field Hartree–Fock approximation we numerically calculate two-terminal transport by using Green?s function formalism. Several cases are analyzed depending on the arrangements of interacting and non-interacting atoms in the chain. The analysis may be helpful in designing mesoscale switching devices.     

Partitioning of main and side-chain units between different phases: a solid-state 13C NMR inversion-recovery cross-polarization study on a homogeneous,metallocene-based,ethylene-1-octene copolymer

13C NMR inversion-recovery cross-polarization experiments are used to study the phase structure and partitioning of main and side-chain groups in a homogeneous, metallocene-based, ethylene-1-octene copolymer. The results provide strong evidence for a three-phase model, i.e. a rigid, (imperfect) crystalline phase, which is mainly composed of long sequences of methylene carbon atoms of the main chain, a semi-rigid, amorphous interphase (also denoted as 'rigid amorphous'), which is enriched by chain segments bearing methylene and methine carbon atoms of the main chain, and a soft fraction of the amorphous phase (also denoted as 'mobile amorphous'), which is largely composed of side chains and short methylene sequences of the main chain.