Related papers: High-bias stability of monatomic chains
We simulate the central reactions of nearly symmetric, and asymmetric systems, for the energies at which the maximum production of IMFs occurs (E$_{c.m.}^{peak}$).This study is carried out by using hard EOS along with cugnon cross section…
We study the electron transport through a system of two low-capacitance metal islands connected in series between two electrodes. The work is motivated in part by experiments on semiconducting double-dots, which show intriguing effects…
The conductance of a single-atom contact is sensitive to the coupling of this contact atom to the atoms in the leads. Notably for the transition metals this gives rise to a considerable spread in the observed conductance values. The mean…
Using first principles simulations we perform a detailed study of the structural, electronic and transport properties of monoatomic platinum chains, sandwiched between platinum electrodes. First we demonstrate that the most stable atomic…
We present first-principles calculations of the dI/dV characteristics of an H2 molecule sandwiched between Au and Pt electrodes in the presence of electron-phonon interactions. The conductance is found to decrease by a few percentage at…
We analyze solutions of strongly charged chains bridged by linkers such as multivalent ions. The gelation induced by the strong short range electrostatic attractions is dramatically suppressed by the long range electrostatic correlations…
In the development of equations of state for polyatomic molecules, thermodynamic perturbation theory (TPT) is widely used to calculate the change in free energy due to chain formation. TPT is a simplification of a more general and exact…
We study transport properties of a strongly correlated monoatomic chain coupled to metallic leads. Our system is described by tight binding Hubbard-like model in the limit of strong on-site electron-electron interactions in the wire. The…
For a wide class of technologically relevant compound III-V and II-VI semiconductor materials AC and BC mixed crystals (alloys) of the type A(x)B(1-x)C can be realized. As the electronic properties like the bulk band gap vary continuously…
We consider the processes of polarization bremsstrahlung in collisions of fast ions with linear chains consisting of isolated atoms. We obtained intensities and angular distributions of radiation spectra for arbitrary number of atoms in the…
Using a break junction technique, we find a clear signature for the formation of conducting hybrid junctions composed of a single organic molecule (benzene, naphthalene or anthracene) connected to chains of platinum atoms. The hybrid…
We report state-of-the-art atomistic simulations combined with high-fidelity conductance calculations to probe structure-conductance relationships in Au-benzenedithiolate(BDT)-Au junctions under elongation. Our results demonstrate that…
We consider the rupture dynamics of a homopolymer chain pulled at one end at a constant loading rate r. Compared to single bond breaking, the existence of the chain introduces two new aspects into rupture dynamics: the non-Markovian aspect…
Hollow cathodes are becoming the bottleneck of many electric propulsion systems, because of the sputtering and erosion on both cathodes and thrusters from the generation of anomalously energetic ions. So far, it is believed that energetic…
The authors introduce a geometry for ultrathin Au and Ag wires that ab initio calculations indicate to be more stable than previously considered planar geometries for these systems, by about 0.1 eV per atom. This structure is insulating for…
In very anisotropic layered superconductors (e.g. Bi$_2$Sr$_2$CaCu$_2$O$_x$) a tilted magnetic field can penetrate as two co-existing lattices of vortices parallel and perpendicular to the layers. At low out-of-plane fields the…
The dynamics of short 1D nonlinear Hamiltonian chains is analyzed numerically at different temperatures (energy per particle). The boundary temperature $T_b$ separating the regular (quasiperiodic) and the stochastic (chaotic) chain motion…
The production of hadrons in heavy ions collisions at high $p_T$ provides an important information on mechanism of particle formation and constituent energy loss in medium. Such information is needed for search of a Critical Point and…
The conductance fluctuations of a metallic wire which is interrupted by a small tunnel junction has been explored experimentally. In this system, the bias voltage V, which drops almost completely inside the tunnel barrier, is used to probe…
We experimentally studied ion behavior and interelectrode breakdown voltage. The ion behavior of a drift tube directly influences the detection of ion intensity, and then influences the detection sensitivity of a system. Interelectrode…