Related papers: Peierls Instability and Electron-Phonon Coupling i…
In this work, \b{eta}-phosphorus carbide 1D nano-wires (PCNWs) are investigated in the framework of density functional theory. The dynamical stability of the considered \b{eta}-PCNWs at 300 K is verified using ab initio molecular dynamics…
Sufficiently large electric current applied to metallic nanostructures can bring them far out-of-equilibrium, resulting in non-Ohmic behaviors characterized by current-dependent resistance. We experimentally demonstrate a linear dependence…
The ion-lipid interface in Langmuir monolayers of Dipalmitoylphosphatidylcholine (DPPC) on pure water and 10 mM solutions of Na+ and K+ at different [K+]/[Na+] (a), atom/atom ratios, were studied initially by Surface Pressure (p) versus…
Quantized conductance behavior of gold nano wires was studied under electrochemical potential control. We fabricated 1 nm long mono atomic wires in solution at room temperature. Electrochemical potential significantly affected the stability…
We demonstrate that a Peierls dimerization can occur in ferromagnetic spin chains activated by thermal fluctuations. The dimer order parameter and entanglement measures are studied as functions of the modulation of the magnetic exchange…
Others have solved the Schr\"odinger equation to estimate the tunneling current between two electrodes at specified potentials, or the transmission through a potential barrier, assuming that an incident wave causes one reflected wave and…
We evaluate the electron transmission through a dangling-bond wire on Si(100)-H (2x1). Finite wires are modelled by decoupling semi-infinite Si electrodes from the dangling-bond wire with passivating H atoms. The calculations are performed…
The understanding of lattice instabilities is of vast importance in material science. The famous example is the Peierls instability of one-dimensional metals and for strongly-nested Fermi surfaces in two and three dimensions. Through an…
The role of the spin-phonon coupling in spin-Peierls chains doped with spin-0 or spin-1 impurities is investigated by various numerical methods such as exact diagonalization, quantum Monte Carlo simulations and Density Matrix…
We present a detailed study of the vibrational properties of Single Wall Carbon Nanotubes (SWNTs). The phonon dispersions of SWNTs are strongly shaped by the effects of electron-phonon coupling. We analyze the separate contributions of…
The structures of the liquid surface and the liquid-solid interface of sodium have been characterized with extensive first-principles molecular dynamics simulations. Friedel oscillations in the electronic charge density at the free surface…
We consider models of quasi-1-d, planar atomic wires consisting of several, laterally coupled rows of atoms, with mutually non-interacting electrons. This electronic wire system is coupled to phonons, corresponding, e.g., to some substrate.…
Structural disorder is present in almost all experimental measurements of electronic transport through single molecules or molecular wires. To assess its influence on the conductance is computationally demanding, because a large number of…
The local structure of the spinel LiRh$_2$O$_4$ has been studied using atomic pair distribution function (PDF) analysis of powder x-ray diffraction data. This measurement is sensitive to the presence of short Rh-Rh bonds that form due to…
We study electron transport in quasi-one-dimensional wires at relatively weak electrostatic confinements, where the Coulomb interaction distorts the ground state, leading to the bifurcation of the electronic system into two rows. Evidence…
A few-layer black phosphorene has recently gained significant interest in the scientific community. In this paper, we consider several polymorphs of phosphorene nanoribbons (PNRs) and employ deformation potential theory within the effective…
We consider a quantum many-body model describing a system of electrons interacting with themselves and hopping from one ion to another of a one dimensional lattice. We show that the ground state energy of such system, as a functional of the…
A nanodevice consisting of a conductive cylinder in an axial magnetic field with one-dimensional wires attached to its lateral surface is considered. An explicit form for transmission and reflection coefficients of the system as a function…
Nanowires are formed by indenting and subsequently retracting two pieces of sodium metal. Their cross-section gradually reduces upon retraction and the diameters can be obtained from the conductance. In previous work we have demonstrated…
We study the conductance of chaotic or disordered wires in a situation where equilibrium transport decomposes into biased diffusion and a counter-moving regular current. A possible realization is a semiconductor nanostructure with…