Related papers: First-Principles Study on Peierls Instability in I…
We report experiments on aluminum nanowires in ultra-high vacuum at room temperature that reveal a periodic spectrum of exceptionally stable structures. Two "magic" series of stable structures are observed: At low conductance, the formation…
The interest in the study of spin-Peierls phenomenon has increased with the discovery of copper germanium oxide (CuGeO_3) as an example of spin-Peierls systems. The availability of this inorganic compound as large, high quality single…
We report high-pressure x-ray diffraction and magnetization measurements combined with ab-initio calculations to demonstrate that the high-pressure optical and transport transitions recently reported in TiOCl, correspond in fact to an…
We suggest that highly conducting oriented polymers with a fibril structure can be modeled by a regular lattice of disordered metallic wires with a random first-neighbor interwire coupling which mimics the cross-links between fibrils. We…
Possibility for the formation of stable Al atomic wire on the Si(211) surface is investigated using density functional theory based total energy calculations. The stable adsorption sites and the surface structures at various sub-monolayer…
Recent advances in single atom manipulation have made it possible to create "wires" in the form of atomic scale linear structures on a semiconductor surface. If such structures are to be used in future electronic devices, it will be…
In connection to the chiral-induced spin-selectivity (CISS) effect, we theoretically analyze the electronic and spin states of edges of a finite $p$-orbital helical atomic chain with the intra-atomic spin-orbit interaction (SOI). This model…
A number of recent experiments report spin polarization in quantum wires in the absence of magnetic fields. These observations are in apparent contradiction with the Lieb-Mattis theorem, which forbids spontaneous spin polarization in one…
Recent state-of-the-art crystallographic investigations of transition metal spinel compounds have revealed that the d- orbital charge carriers undergo ordering transitions with the formation of local "molecular bonding" units such as dimers…
We present first-principles calculations for the transport properties of monoatomic Al wires sandwiched between Al(100) electrodes. The conductance of the monoatomic Al wires oscillates with the number of the constituent atoms as a function…
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…
We discovered a first-order phase transition between dimerized-antiferromagnetic and uniform-antiferromagnetic phases in impurity-doped spin-Peierls (SP) cuprate Cu{1-x}MgxGeO3. As impurity concentration increases, linear reduction of SP…
The evolution of the structure and conductance of an Al nanowire subject to a tensile stress has been studied by first-principles total-energy simulations. Our calculations show the correlation between discontinuous changes in the force…
We report on the magnetic, thermodynamic and optical properties of the quasi-one-dimensional quantum antiferromagnets TiOCl and TiOBr, which have been discussed as spin-Peierls compounds. The observed deviations from canonical spin-Peierls…
An existence of predominant symmetrical spin configuration (spin polarised phase) and "diluted" density of states (pseudo-gap) in a layer under the Fermi level in a quantum wire is predicted. The condition of cross-over from non-polarised…
Motivated by the intriguing properties of magnetic molecular wheels at field induced level crossings, we investigate the spin-Peierls instability of antiferromagnetic rings in a field by exact diagonalizations of a microscopic spin model…
We investigate a one-dimensional S=1 antiferromagnetic Heisenberg model coupled to a lattice distortion by a quantum Monte Carlo method. Investigating the ground state energy of the static bond-alternating chain, we find that the…
We investigate the electron spin resonance of the organic spin-Peierls chain (o-DMTTF)2X with X = Cl, Br and I. We describe the temperature dependence of the spin gap during the phase transition and quantify the dimerization parameter…
The spin$-1/2$ chain with ferromagnetic exchange $J_1 < 0$ between first neighbors and antiferromagnetic $J_2 > 0$ between second neighbors supports two spin-Peierls (SP) instabilities depending on the frustration $\alpha = J_2/\vert…
We examine the various instabilities of quarter-filled strongly correlated electronic chains in the presence of a coupling to the underlying lattice. To mimic the physics of the (TMTTF)$_2$X Bechgaard-Fabre salts we also include…