Related papers: Peierls Instability and Electron-Phonon Coupling i…
Structural transformations, electronic spectra and ballistic transport in pulled gold nanowires are investigated with ab initio simulations, and correlated with recent measurements. Strain-induced yield of an initial double-strand wire…
We investigate the conventional tight-binding model of $L$ $\pi$-electrons on a ring-shaped mol\-e\-cule of $L$ atoms with nearest neighbor hopping. The hopping amplitudes, $t(w)$, depend on the atomic spacings, $w$, with an associated…
We present a first-principles study of a coherent relationship between the optimized geometry and conductance of a three-aluminum-atom wire during its elongation process. Our simulation employs the most definite model including…
Coupling of two dielectric wires with rectangular cross-section gives rise to bonding and anti-bonding resonances. The latter is featured by extremal narrowing of the resonant width for variation of the aspect ratio of the cross-section and…
A linear stability analysis of metallic nanowires is performed in the free-electron model using quantum chaos techniques. It is found that the classical instability of a long wire under surface tension can be completely suppressed by…
Equilibrium structure, local densities of states, and electronic transport in a gold nanowire made of a four-atom chain supported by two gold electrodes, which has been imaged recently by high-resolution electron microscopy, and chemical…
Recent advances in hydrogen lithography on silicon surfaces now enable the fabrication of complex and error-free atom-scale circuitry. The structure of atomic wires, the most basic and common circuit elements, plays a crucial role at this…
The low-field electron mobility in rectangular silicon nanowire (SiNW) transistors was computed using a self-consistent Poisson-Schr\"{o}dinger-Monte Carlo solver. The behavior of the phonon-limited and surface-roughness-limited components…
We predict that conduction electrons in a semiconductor film containing a centered square array of metal nanowires normal to its plane are bound in quantum states around the central wires, if a positive bias voltage is applied between the…
Interplay of Fermi surface topology and electron correlation is the quintessential ingredient underlying spontaneous symmetry breaking in itinerant electronic systems. In one-dimensional (1D) systems at half-filling, the inherent Fermi…
The unusual structural stability of gold nanowires at large separations of gold atoms is explained from first-principles quantum mechanical calculations. We show that undetected light atoms, in particular hydrogen, stabilize the…
Because the three-leg ladder behaves like a renormalized single Heisenberg chain we argue that a spin-Peierls instability must occur in this system when it is coupled to three-dimensional phonons. Using the bond-mean-field theory, we show…
Using computer simulations, we have studied the percolation and the electrical conductance of two-dimensional, random percolating networks of curved, zero-width metallic nanowires. We mimicked the curved nanowires using circular arcs. The…
Water is essential for almost every aspect of life on our planet and, unsurprisingly, its properties have been studied in great detail. However, disproportionately little remains known about the electrical properties of interfacial and…
Photons and electrons transmit information to form complex systems and networks. Phonons on the other hand, the quanta of mechanical motion, are often considered only as carriers of thermal energy. Nonetheless, their flow can also be molded…
We report on the fabrication and electrical characterization of field-effect devices based on wire-shaped InP crystals grown from Au catalyst particles by a vapor-liquid-solid process. Our InP wires are n-type doped with diameters in the…
We investigate the elongation and breaking process of metallic nanowires using the ultimate jellium model in self-consistent density-functional calculations of the electron structure. In this model the positive background charge deforms to…
We investigate electron-phonon coupling in a narrow suspended metallic wire, in which the phonon modes are restricted to one dimension but the electrons behave three-dimensionally. Explicit theoretical results related to the known bulk…
A complicating factor in the realization and observation of quantum spin liquids in materials is the ubiquitous presence of other degrees of freedom, in particular lattice distortion modes (phonons). These provide additional routes for…
We use first principles density functional theory calculations to examine the effect of multiple anions on the Peierls distortion in the rutile oxyfluoride TiOF. By using a structure enumeration approach, we obtain the ground state atomic…