Related papers: Peierls Instability and Electron-Phonon Coupling i…
We examine the conductance properties of a chain of Na atoms between two metallic leads in the limit of low bias. Resonant states corresponding to the conductance channel and the local charge neutrality condition cause conductance…
We propose a relevant lattice distortion to stabilize the spin-Peierls state in CeRu2Al10, compatible with the 27Al-NQR spectra and the neutron diffraction patterns on the assumption that Al atoms at Al(1) to Al(4) sites displace toward…
We investigate the effects of electron and acoustic-phonon confinement on the low-field electron mobility of thin square silicon nanowires (SiNWs) that are surrounded by SiO$_2$ and gated. We employ a self-consistent…
Scanning tunnelling microscopy and low energy electron diffraction show a dimerization-like reconstruction in the one-dimensional atomic chains on Bi(114) at low temperatures. While one-dimensional systems are generally unstable against…
Since the time of Rutherford it was commonly believed that with no electric field, the nucleus of an atom is at the centre of the electron cloud, so that all kinds of atoms do not have permanent electric dipole moment (EDM). In the fact,…
The present understanding of the electronic and magnetic properties of $\alpha'$-NaV$_2$O$_5$ is based on the hypothesis of strong charge disproportionation into V$^{4+}$ and V$^{5+}$, which is assumed to lead to a spin-1/2 Heisenberg chain…
We report a first-principles projector augmented wave (PAW) study on Na$_{0.5}$CoO$_2$. With the sodium ion ordered insulating phase being identified in experiments, pure density functional calculations fail to predict an insulating ground…
The dielectric environment of thin semiconductor nanowires can affect the charge transport properties inside the wire. In this work, it is shown that Coulomb impurity scattering inside thin nanowires can be damped strongly by coating the…
We demonstrate using scanning tunneling microscopy and spectroscopy the electron quantization within metallic Au atomic wires self-assembled on a Si(111) surface and segmented by adatom impurities. The local electronic states of wire…
The effect of correlation on Peierls transition, which is accompanied by a dimerization, t_d, of a bond alternation for transfer energy, has been examined for a half-filled one-dimensional electron system with on-site repulsive interaction…
Electrical resistivity in good metals, particularly noble metals such as gold (Au), silver (Ag), or copper, increases linearly with temperature ($T$) for $T > \Theta_{\mathrm{D}}$, where $\Theta_{\mathrm{D}}$ is the Debye temperature. This…
The formation of atomic wires via pseudomorphic step-edge decoration on vicinal silicon surfaces has been analyzed for Ga on the Si(112) surface using Scanning Tunneling Microscopy and Density Functional Theory calculations. Based on a…
We calculate the electrical conductivity of a thin crystalline strip of atoms confined within a quasi one dimensional channel of fixed width. The conductivity shows anomalous behavior as the strip is deformed under tensile loading. Beyond a…
In this paper we study Peierls instabilities for a half-filled two-dimensional tight-binding model with nearest-neighbour hopping $t$ and next nearest-neighbour hopping $t'$ at zero and finite temperatures. Two dimerization patterns…
Study on mechanical properties of one-dimensional layered titanate nanomaterials is crucial since they demonstrate important applications in various fields. Here, we conducted ex situ and in situ atomic-scale investigation on bending…
We introduce variational wave functions to evaluate the ground-state properties of spin-phonon coupled systems described by the Su-Schrieffer-Heeger model. Quantum spins and phonons are treated on equal footing within a Monte Carlo…
Based on ab initio density-functional-theory using generalized gradient approximation, we systematically study the optical and electronic properties of the insulating dense sodium phase (Na-hp4) reported recently [Ma \textit{et al.}, Nature…
NaxCoO2 has emerged as a material of exceptional scientific interest due to the potential for thermoelectric applications, and because the strong interplay between the magnetic and superconducting properties has led to close comparisons…
In this paper we investigated structural, electronic and magnetic properties of 3d (light) transition metal (TM) atomic chains using first-principles pseudopotential plane wave calculations. Periodic linear, dimerized linear and planar…
We have studied the spin-Peierls (SP) transition in alpha'-Na_{1-delta}V_2O_5 (delta = 0, 0.01 and 0.1) by means of Raman scattering. At room temperature, we observe six A_1 and three A_2 phonon modes and a broad Raman band. Below…