Related papers: Low-temperature structural model of hcp solid C$_{…
We consider planar Coulomb systems consisting of a large number $n$ of repelling point charges in the low temperature regime, where the inverse temperature $\beta$ grows at least logarithmically in $n$ as $n \longrightarrow \infty$, i.e.,…
We present a comprehensive theoretical study of the physical phenomena that determine the relative energies of the three of the lowest electronic states of each of the square-planar copper complexes $\cucl$, $\cunh$ and $\cuwater$, and…
We derive the low temperature properties of the molecular magnet Mo72Fe30, where 30 Fe(3+) paramagnetic ions occupy the sites of an icosidodecahedron and interact via isotropic nearest-neighbour antiferromagnetic Heisenberg exchange. The…
An equilibrated model glass-forming liquid is studied by mapping successive configurations produced by molecular dynamics simulation onto a time series of inherent structures (local minima in the potential energy). Using this ``inherent…
Heating induced by the noise postulated in wave function collapse models leads to a lower bound to the temperature of solid objects. For the noise parameter values $\lambda ={\rm coupling~strength}\sim 10^{-8} {\rm s}^{-1}$ and $r_C ={\rm…
We present a theory for charge and heat transport parallel to the interfaces of a multilayer (ML) in which the interfacing gives rise the redistribution of the electronic charges. The ensuing electrical field couples self-consistently to…
An experimental protocol which allows to perform conductance spectroscopy on organic molecules at low temperatures (T~30 K) has been developed. This extends the method of mechanically controlled break junctions which has recently…
We use the ``isoconfigurational ensemble'' [Phys. Rev. Lett. {\bf 93}, 135701 (2004)] to analyze both dynamical and structural properties in simulations of a glass forming molecular liquid. We show that spatially correlated clusters of low…
We present an original method to estimate the conductivity of a single molecule anchored to nanometric-sized metallic electrodes, using a Mechanically Controlled Break Junction (MCBJ) operated at room temperature in liquid. We record the…
Recent molecular dynamics simulations show that thermal gradients can induce electric fields in water that are comparable in magnitude to electric fields seen in ionic thin films and biomembranes. This surprising non-equilibrium phenomenon…
The thermodynamic parameters of the superconducting state in Calcium under the pressure at 200 GPa have been determined. The numerical analysis by using the Eliashberg equations in the mixed representation has been conducted. It has been…
The most energetically favourable arrangement of low-density electrons in an infinite two-dimensional plane is the ordered triangular Wigner lattice. However, in most instances of contemporary interest one deals instead with finite clusters…
We develop a model of molecular binding based on the Bohr-Sommerfeld description of atoms together with a constraint taken from conventional quantum mechanics. The model can describe the binding energy curves of H2, H3 and other molecules…
By using a first-principles approach, monolayer PbI$_2$ is found to have great potential in thermoelectric applications. The linear Boltzmann transport equation is applied to obtain the perturbation to the electron distribution by different…
We consider the N-body problem in a layered geometry containing cold polar molecules with dipole moments that are polarized perpendicular to the layers. A harmonic approximation is used to simplify the hamiltonian and bound state properties…
We perform a coupled-channels study of the low-lying states in $^{13,15,17,19}_{~~~~~~~~~~~~~~~~~~~~~\Lambda}$C with a covariant energy density functional based microscopic particle-core coupling model. The energy differences of $1/2^-$ and…
Freezing of charged colloids on square or triangular two-dimensional periodic substrates has been recently shown to realize a rich variety of orientational orders. We propose a theoretical framework to analyze the corresponding structures.…
A simple model based on atom-atom potential has been used to calculate various bulk, structural and thermodynamic properties of pure C_{60} solid by including implicit anharmonicity. The pressure and temperature dependent properties such as…
By employing the Coulomb proximity potential model (CPPM) in conjunction with 22 distinct proximity potential models, we investigated the temperature dependence and the effects of proton number and neutron number on the diffusion parameters…
Carbon tetrachloride (CCl$_4$) is one of the simplest compounds having a translationally stable monoclinic phase while exhibiting a rich rotational dynamics below 226 K. Recent nuclear quadrupolar resonance (NQR) experiments revealed that…