Related papers: The origin of the vanadium dioxide transition entr…
We calculated the optical response of metallic and insulating VO2 using the LDA approach. The band structure calculation was based in the full-potential linear-muffin-tin method. The imaginary part of the dielectric function e2(w) is…
The dynamics of induced fission of $^{226}$Th is investigated in a theoretical framework based on the finite-temperature time-dependent generator coordinate method (TDGCM) in the Gaussian overlap approximation (GOA). The thermodynamical…
We present {\it ab initio} LDA+DMFT results for the many-particle density of states of $VO_{2}$ on the metallic side of the strongly first-order ($T$-driven) insulator-metal transition. In strong contrast to LDA predictions, there is {\it…
In some instances, e.g. near phase transitions, thermodynamic fluctuations become macroscopically relevant, and relative amplitudes grow far above the standard $N^{-1/2}$ scale, with $N$ the number of particles. Such large fluctuations are…
We present a density-functional theory (DFT) study of the structural, electronic, and chemical bonding behaviour in germanium (Ge)-doped vanadium dioxide (VO$_2$). Our motivation is to explain the reported increase of the metal-insulator…
We investigate the transverse momentum distribution (TMD) statistics from three different theoretical approaches. In particular, we explore the framework used for string models, wherein the particle production is given by the Schwinger…
Using many-body perturbation theory and density functional perturbation theory, we study the vibrational spectra of the internal stretch (IS) mode of CO on Pd(111) for the bridge and hollow adsorption structures that are experimentally…
Motivated by the notion that the mathematics of gravity can be reproduced from a statistical requirement of maximal entropy, we study the consequence of introducing an entropic source term in the Einstein-Hilbert action. For a spatially…
We have used a combination of ultrafast coherent phonon spectroscopy, ultrafast thermometry, and time-dependent Landau theory to study the inversion symmetry breaking phase transition at $T_c = 200$ K in the strongly spin-orbit coupled…
The thermoelectric power S and the thermal conductivity k of stoichiometric and vacancy-doped CaB6 have been measured between 5 and 300 K. The thermopower of both materials is surprisingly large at room temperature. Across the whole covered…
We characterize the possible moments of entropy production for general overdamped Markovian systems. We find a general formulation of the problem, and derive a new necessary condition between the second and third moment. We determine all…
In this paper, we revisit the estimation of the spectrum of primordial gravitational waves originated from inflation, particularly focusing on the effect of thermodynamics in the Standard Model of particle physics. By collecting recent…
Recently, we have introduced the use of techniques drawn from Bayesian statistics to recover kinetic and thermodynamic parameters from voltammetric data, and were able to show that the technique of large amplitude ac voltammetry yielded…
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…
We report a thorough investigation into the absorptive and dispersive properties of hot caesium vapour, culminating in the development of a simple analytical model for off-resonant Faraday rotation. The model, applicable to all hot alkali…
Using a simple quantum master equation approach, we calculate the Full Counting Statistics of a single electron transistor strongly coupled to vibrations. The Full Counting Statistics contains both the statistics of integrated particle and…
Semiconductor materials are the foundation of modern electronics, and their functionality is dictated by the interactions between fundamental excitations occurring on (sub-)picosecond timescales. Using time-resolved Raman spectroscopy and…
Using the Dirac-Frenkel variational principle, a time-dependent description of the dynamics of a two-level system coupled to a bosonic bath is formulated. The method is applied to the case of a gas of cold atoms adsorbing to an elastic…
We study theoretically the effect of the effective dimensionality of the phonon gas distribution on the heat exchange between electrons and phonons in layered nanostructures. If we denote the electrons temperature by $T_e$ and the phonons…
The microscopic origin of the large negative thermal expansion of cubic scandium trifluorides (ScF3) is investigated by performing a set of anharmonic free-energy calculations based on density functional theory. We demonstrate that the…