Related papers: Thermodynamics of Na_8 and Na_{20} clusters studie…
The thermodynamic mixing properties of alkali feldspar solid solutions between the Na and K end members were computed through atomistic simulations using a neural network potential. We performed combined molecular dynamics and Monte Carlo…
PuCoGa5 has attracted significant attention due to its record-breaking superconducting transition temperature Tc=18.5 K among known f-electron superconductors. Here we systematically investigated the evolution of correlated electronic…
The thermal behavior of free and alumina-supported iron-carbon nanoparticles is investigated via molecular dynamics simulations, in which the effect of the substrate is treated with a simple Morse potential fitted to ab initio data. We…
We investigate the thermodynamics of model systems exhibiting two-scale fractal spectra. In particular, we present both analytical and numerical studies on the temperature dependence of the vibrational and electronic specific heats. For…
The package fhi98PP allows one to generate norm-conserving pseudopotentials adapted to density-functional theory total-energy calculations for a multitude of elements throughout the periodic table, including first-row and transition metal…
The theoretical description of the thermodynamic properties of ferromagnetic/superconductor/ferromagnetic (F/S/F) systems of nanoscopic scale is proposed. Their superconducting characteristics strongly depend on the mutual orientation of…
We explore the collective electromagnetic response in atomic clusters of various sizes and geometries. Our aim is to understand, and hence to control, their dielectric response, based on a fully quantum-mechanical description which captures…
Theoretical studies of the metamagnetism and anomalous phase of Sr3Ru2O7 have focused on the role of van Hove singularities, although much experimental evidence points towards quantum criticality having a large effect. We investigate the…
Understanding the role of confinement while crystallizing nanocrystals is very relevant for predicting their structure and physical properties. With this aim we perform Langevin dynamics simulations of nanocrystals of the model system of…
Accurate prediction of electron transport coefficients is crucial for understanding warm dense matter. Utilizing the density functional theory (DFT) with the Kubo-Greenwood formula is widely used to evaluate the electrical and thermal…
In plasmonics, and particularly in plasmonic photochemistry, the effect of hot-electron generation is an exciting phenomenon driving new fundamental and applied research. However, obtaining a microscopic description of the hot-electron…
A spherically symmetric fluid code that includes the relativistic effects of hot electrons has been newly developed. In the present simulations, I attempt to implode a target shell of laser fusion using a nanosecond pulse; then, an…
A review of the present state of investigations of the pseudospin-electron model (PEM), which is used in the theory of strongly correlated electron systems, is given. The model is used to describe the systems with the locally anharmonic…
We report synthesis of single crystalline NaMnAs, confirm its antiferromagnetic order and characterise the sample by photoemission spectroscopy. The electronic structure was studied using optical transmittance, x-ray and ultraviolet…
A systematic comparison of different isotopic temperatures with the thermodynamical temperature of a multifragment system is made on the basis of the Statistical Multifragmentation Model. It is demonstrated that isotopic temperatures are…
We propose a thermoelectric cooling device based on an atomic-sized junction. Using first-principles approaches, we investigate the working conditions and the coefficient of performance (COP) of an atomic-scale electronic refrigerator where…
We theoretically investigate equilibrium behaviors and photothermal effects of a flexible plasmonic metamaterial composed of aramid nanofibers and gold nanoparticles. The fiber matrix is considered as an external field to reconfigure a…
Studies of thermally induced transport in nanostructures provide access to an exciting regime where fluctuations are relevant, enabling the investigation of fundamental thermodynamic concepts and the realization of thermal energy…
Extending our previous work \cite{filinov-etal.jpa03ik} we present a detailed discussion of accuracy and practical applications of finite-temperature pseudopotentials for two-component Coulomb systems. Different pseudopotentials are…
This mini-review is intended as a short introduction to electron flow in nanostructures. Its aim is to provide a brief overview of this topic for people who are interested in the thermodynamics of quantum systems but know little about…