Related papers: Determining the phonon DOS from specific heat meas…
The electron-phonon interaction corresponding to the Holstein model (with Coulomb repulsion) is simulated in infinite dimensions using a novel quantum Monte Carlo algorithm. The thermodynamic phase diagram includes commensurate…
We have developed a novel multiscale computational scheme to describe coupled dynamics of light electromagnetic field with electrons and atoms in crystalline solids, where first-principles molecular dynamics based on time-dependent density…
In realistic nanoscale transport set-ups, electron-phonon coupling leads to the exchange of heat between phonon baths and electronic reservoirs with finite heat capacities. Such exchange affects the finite reservoir's temperature. However,…
We provide a theoretical framework for the development of a solid-state thermal rectifier through a confinement in the available population of phonons on one side of an asymmetrically graded film stack. Using a modification of the phonon…
The vibrational density of states of glasses is considerably different from that of crystals. In particular, there exist spatially localized vibrational modes in glasses. The density of states of these non-phononic modes has been observed…
We present a novel technique for determining the microscale AC susceptibility of magnetic materials. We use magnetic field sensing properties of nitrogen-vacancy (\ce{NV-}) centers in diamond to gather quantitative data about the magnetic…
We describe an efficient Monte Carlo algorithm using a random walk in energy space to obtain a very accurate estimate of the density of states for classical statistical models. The density of states is modified at each step when the energy…
Self-consistent phonon (SCP) theory and its application in computing thermodynamic properties of materials are reviewed from a historical perspective. Various more recent implementations based on first-principles electronic structure…
We study thermodynamic properties of the doped Hubbard model on the square lattice in the regime of strong charge and spin fluctuations at low temperatures near the metal-to-insulator crossover and obtain results with controlled accuracy…
Nuclear level densities are crucial for estimating statistical nuclear reaction rates. The shell model Monte Carlo method is a powerful approach for microscopic calculation of state densities in very large model spaces. However, these state…
A diagrammatic method is applied to study the effects of commensurability in two-dimensional disordered crystalline metals by using the particle-hole symmetry with respect to the nesting vector P_0={\pm{\pi}/a, {\pi}/a} for a half-filled…
New magnetometry techniques based on Nitrogen Vacancy (NV) defects in diamond have received much attention of late as a means to probe nanoscale magnetic environments. The sensitivity of a single NV magnetometer is primarily determined by…
A theoretical particle-number conserving quantum field theory based on the concept of imaginary time is presented and applied to the scenario of a coherent atomic laser field at ultra-cold temperatures. The proposed theoretical model…
The frozen-phonon method, used to calculate electron-phonon coupling effects, requires calculations of the investigated structure using atomic coordinates displaced according to a certain phonon eigenmode. The process of "freezing-in" the…
Analytic continuation of numerical data obtained in imaginary time or frequency has become an essential part of many branches of quantum computational physics. It is, however, an ill-conditioned procedure and thus a hard numerical problem.…
We introduce a detector that selectively probes the phononic excitations of a cold Bose gas. The detector is composed of a single impurity atom confined by a double-well potential, where the two lowest eigenstates of the impurity form an…
Several fcc- and hcp-structured Ir-Os alloys have been recently studied up to 30 GPa at room temperature by means of synchrotron-based X-ray powder diffraction in diamond anvil cells. Using their bulk moduli -which increase with increasing…
When diamond anvil cell (DAC) sample chambers are outfitted with both thermal insulation and electrodes, two cutting-edge experimental methods are enabled: Joule heating with spectroradiometric temperature measurement, and electrical…
Dynamic nuclear polarisation (DNP) refers to a class of techniques used to increase the signal in nuclear magnetic resonance measurements by transferring spin polarisation from ensembles of highly polarised electrons to target nuclear…
We present the results of an operational use of experimentally measured optical tomograms to determine state characteristics (purity) avoiding any reconstruction of quasiprobabilities. We also develop a natural way how to estimate the…