Related papers: Evidence for a single hydrogen molecule connected …
Recent experiments showed that the conductance of Pt nanocontacts and nanowires is measurably reduced by adsorption of CO. We present DFT calculations of the electronic structure and ballistic conductance of a Pt monoatomic chain and a CO…
We present an efficient criterion for probing the critical temperature of hydrogen based superconductors. We start by expanding the applicability of 3D descriptors of electron localization to superconducting states within the framework of…
Hydrogen compounds are peculiar as the quantum nature of the proton can crucially affect their structural and physical properties. A remarkable example are the high-pressure phases of H$_2$O, where quantum proton fluctuations favor the…
Using fluorescent microthermal imaging we have investigated the origin of "two-step" behavior in I-V curves for a current-carrying YBa_2Cu_3O_x superconducting bridge. High resolution temperature maps reveal that as the applied current…
We investigated structural changes, phase diagram, and vibrational properties of hydrogen hydrate in filled-ice phase C2 by using first principles molecular dynamics simulation. It was found that the experimentally reported 'cubic'…
A detailed computational analysis has been performed, considering copper atomic contacts that are exposed directly to water molecules, hydroxyl groups, and monatomic as well as molecular hydrogen and oxygen species. The optimized physical…
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…
Results of an experimental study of palladium nanojunctions in hydrogen environment are presented. Two new hydrogen-related atomic configurations are found, which have a conductances of ~0.5 and ~1 quantum unit (2e^2/h). Phonon spectrum…
Frequently, knots are enumerated by their crossing number. However, the number of knots with crossing number $c$ grows exponentially with $c$, and to date computer-assisted proofs can only classify diagrams up to around twenty crossings.…
The Bridge Theory (BT) applied to a simple hydrogen atom model proves that the current values for the electromagnetical physical constants could be affected by a small error due to a non completely corrected modelling of the physical…
The interplay between groups of water molecules and single-atom contacts, as reflected in the electrical conductances and mechanical forces of copper atomic junctions, is explored by means of first-principles theory and semi-empirical…
We present an experimental and theoretical study of the conductance and stability of Mg atomic-sized contacts. Using Mechanically Controllable Break Junctions (MCBJ), we have observed that the room temperature conductance histograms exhibit…
We present a theoretical study of the electronic transport through single-molecule junctions incorporating a Pt6 metal cluster bound within an organic framework. We show that the insertion of this molecule between a pair of electrodes leads…
Organic semiconductors based on small conjugated molecules generally behave as insulators when undoped, but the hetero-interfaces of two such materials can show electrical conductivity as large as in a metal. Although charge transfer is…
We review data analysis techniques that can be used to study temporal correlations among conductance traces in break junction measurements. We show that temporal histograms are a simple but efficient tool to check the temporal homogeneity…
Single molecule junctions exhibit dynamic structural configurations that strongly influence their electronic and thermoelectric properties. Here, we combine conductance (G) and Seebeck coefficient (S) measurements using the novel AC based…
We study the electrical conductance $G$ and the thermopower $S$ of single-molecule junctions, and reveal signatures of different transport mechanisms: off-resonant tunneling, on-resonant coherent (ballistic) motion, and multi-step hopping.…
Joule heat generated by resistive elements of cryogenic micro- and nanodevices often originates boiling of the cooling cryogenic liquids (helium, nitrogen). The article proposes an experimental method to explore the dynamics of the…
We present a theoretical study of the transport characteristics of molecular junctions, where first-row diatomic molecules are attached to (001) gold and platinum electrodes. We find that the conductance of all of these junctions is of the…
As the simplest element in nature, unraveling the phase diagram of hydrogen is a primary task for condensed matter physics. As conjectured many decades ago, in the low-temperature and high-pressure part of the phase diagram, solid hydrogen…