Related papers: Thermodynamics of Na_8 and Na_{20} clusters studie…
We determined the ionic and electronic structure of sodium clusters with even electron numbers and 2 to 59 atoms in axially averaged and three-dimensional density functional calculations. A local, phenomenological pseudopotential that…
Much scientific and practical interest is currently focused on the atomic-scale mechanical behaviors of metallic nanocrystals with different crystal structures at room temperature, while the high-temperature plastic deformation in tungsten…
Coherent charge and heat transport through periodically driven nanodevices provide a platform for studying thermoelectric effects on the nanoscale. Here we study a junction comprising a quantum dot connected to two fermionic terminals by…
Quantum dots (QDs) are good model systems for fundamental studies of mesoscopic transport phenomena using thermoelectric effects because of their small size, electrostatically tunable properties and thermoelectric response characteristics…
Experiments and simulations have been performed to examine the finite-temperature behavior of Ga$_{17}{}^{+}$ and Ga$_{20}{}^{+}$ clusters. Specific heats and average collision cross sections have been measured as a function of temperature,…
The electron-phonon interaction contribution to the electronic energies is included in density functional total energy calculations with ab initio pseudopotentials via the Allen formalism [Phys. Rev. B 18, 5217 (1978)] to obtain temperature…
Heat capacities measured for Al45- and Al47- nanoclusters have reproducible jumps at ~ 200 K. These jumps are consistent with theoretical predictions that some clusters with highly degenerate electronic states near the Fermi level will…
Impact processes of nanoclusters subject to thermal fluctuations are investigated, theoretically. In the former half of the paper, we discuss the basis of quasi-static theory. In the latter part, we carry out the molecular dynamics…
Electronic states in metallic nanoclusters form energy shells and degree of their filling depends on the number of delocalized electrons. In the region close to half-filling the cluster geometry oscillates between the prolate and oblate…
We theoretically investigate the Seebeck and Peltier effect across an interacting quantum dot(QD) coupled between a normal metal and a Bardeen-Cooper-Schrieffer superconductor within the Coulomb blockade regime. Our results demonstrate that…
We study the effect of temperature on the tunnel current in a structure based on gold clusters taking into consideration their discrete electronic spectra. We suggest that an overheating of electron subsystem leads to the disappearance of a…
We develop an electrokinetic technique that continuously manipulates colloidal particles to concentrate into patterned particulate groups in an energy efficient way, by exclusive harnessing of the intrinsic Joule heating effects. Our…
The properties expected of "hot" non-flaring plasmas due to nanoflare heating in active regions are investigated using hydrodynamic modeling tools, including a two-fluid development of the EBTEL code. Here we study a single nanoflare and…
Composition, atomic structure, and electronic properties of TM$_x$Mg$_y$O$_z$ clusters (TM = Cr, Ni, Fe, Co, $x+y \leq 3$) at realistic temperature $T$ and partial oxygen pressure $p_{\textrm{O}_2}$ conditions are explored using the {\em ab…
A computational approach to determine the equilibrium structures of nanoclusters in the whole temperature range from 0 K to melting is developed. Our approach relies on Parallel Tempering Molecular Dynamics (PTMD) simulations complemented…
An atomistic approach is used to investigate finite-temperature properties of ferroelectric nanodots that are embedded in a polarizable medium. Different phases are predicted, depending on the ferroelectric strengths of the material…
Nanostructured ferroelectrics display exotic multidomain configurations resulting from the electrostatic and elastic boundary conditions they are subject to. While the ferroelectric domains appear frozen in experimental images, atomistic…
Membrane based nanocalorimeters have been developed for ac calorimetry experiments. It has allowed highly sensitive measurements of heat capacity from solid state physics to complex systems like polymers and proteins. In this article we…
Spin caloritronics studies the interplay between charge-, heat- and spin-currents, which are initiated by temperature gradients in magnetic nanostructures. A plethora of new phenomena has been discovered that promises, e.g., to make wasted…
The high-pressure and high-temperature thermodynamic properties of iridium are studied using density functional theory in combination with the quasi-harmonic approximation, where both the contributions to the free energy of phonons and of…