Related papers: Thermodynamics of Na_8 and Na_{20} clusters studie…
We present a coupled cluster and linear response theory to compute properties of many-electron systems at non-zero temperatures. For this purpose, we make use of the thermofield dynamics, which allows for a compact wavefunction…
Motivated by the recent development of fast and ultra-sensitive thermometry in nanoscale systems, we investigate quantum calorimetric detection of individual heat pulses in the sub-meV energy range. We propose a hybrid superconducting…
Quantum thermodynamics is a powerful theoretical tool for assessing the suitability of quantum materials as platforms for novel technologies. In particular, the modeling of quantum cycles allows us to investigate the heat changes and work…
Heat capacities of Na_N, N = 13, 20, 55, 135, 142, and 147, clusters have been investigated using a many-body Gupta potential and microcanonical molecular dynamics simulations. Negative heat capacities around the cluster melting-like…
Internal energies, enthalpies, phonon dispersion curves, and superconductivity of atomic metallic hydrogen are calculated. The (standard) use pseudopotentials in density-functional theory are compared with full (Coulomb)-potential…
The shape memory effect and pseudoelasticity in Cu nanowires is one possible pair of mechanisms that prevents high aspect ratio nanosized field electron emitters to be stable at room temperature and permits their growth under high electric…
We study the thermodynamics of a zero-dimensional, cubic cluster described with a Hubbard Hamiltonian, focusing our interest on the magnetic properties. The range in which the studied cluster is paramagnetic is considered. The results are…
We show that the effect of size dependence of the melting temperature of nanocrystals may be used to govern anomalies of thermodynamic properties of nanocrystals in the premelting range. For example, if temperature of nanocrystals is near…
Here we investigate how local properties of particles in a thermal bath influence the thermodynamics of the bath. We utilize nanothermodynamics, based on two postulates: that small systems can be treated self-consistently by coupling to an…
Hybrid plasmonic devices involve a nanostructured metal supporting localized surface plasmons to amplify light-matter interaction, and a non-plasmonic material to functionalize charge excitations. Application-relevant epitaxial…
Thermal stability properties and the melting-like transition of Na_n, n=13-147, clusters are studied through microcanonical molecular dynamics simulations. The metallic bonding in the sodium clusters is mimicked by a many-body Gupta…
Magnetic particle hyperthermia, in which colloidal nanostructures are exposed to an alternating magnetic field, is a promising approach to cancer therapy. Unfortunately, the clinical efficacy of hyperthermia has not yet been optimized.…
The usually negligibly small thermoelectric effects in superconducting heterostructures can be boosted dramatically due to the simultaneous effect of spin splitting and spin filtering. Building on an idea of our earlier work [Phys. Rev.…
Employing first principles parallel tempering molecular dynamics in the microcanonical ensemble, we report the presence of a clear solid-liquid-like melting transition in Al20+ clusters, not found in experiments. The phase transition…
A unique property of size-resolved metal nanocluster particles is their "superatom"-like electronic shell structure. The shell levels are highly degenerate, and it has been predicted that this can enable exceptionally strong…
We demonstrate the possiblity to cool nanoelectronic systems in nonequilibrium situations by increasing the temperature of the environment. Such cooling by heating is possible for a variety of experimental conditions where the relevant…
Multilevel Monte Carlo simulations of the vortex matter in the highly-anisotropic high-temperature superconductor Bi$_2$Sr$_2$CaCu$_2$O$_8$ were performed. We introduced low concentration of columnar defects satisfying $B_\phi\le B$. Both…
We develop a temperature dependent empirical pseudopotential theory to study the electronic and optical properties of self-assembled quantum dots (QDs) at finite temperature. The theory takes the effects of both lattice expansion and…
The heat capacity of superconducting Na(x)CoO(2)*yH(2)O was measured and the data are discussed based on three different models: The thermodynamic Ginzburg-Landau model, the BCS theory, and a model including the effects of line nodes in the…
We derive a variational cluster approximation for Heisenberg spin systems at finite temperature based on the ideas of the self-energy functional theory by Potthoff for fermionic and bosonic systems with local interactions. Partitioning the…