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We study a hybrid system formed by an ensemble of colour nitrogen-vacancy centres in diamond interacting with a superconducting flux-qubit at finite temperature. The presence of impurities in the system is modelled through pseudo-hermitian…
A system with equal number of positive and negative charges confined in a box with a small but finite thickness is modeled as a function of temperature using mesoscale numerical simulations, for various values of the charges. The Coulomb…
High-temperature and high-pressure experiments were conducted on columbite-type ZnNb2O6, reaching temperatures up to 873 K at ambient pressure and pressures up to 30 GPa at ambient temperature, respectively. Through systematic analysis…
We present a simple implementation of the dynamical mean-field theory approach to the electronic structure of strongly correlated materials. This implementation achieves full self-consistency over the charge density, taking into account…
When gold is deposited on Si(553), the surface self-assembles to form a periodic array of steps with nearly perfect structural order. In scanning tunneling microscopy these steps resemble quasi-one-dimensional atomic chains. At temperatures…
Superconductivity has been one of the focal points in medium and high-entropy alloys (MEAs-HEAs) since the first discovery of the HEA superconductor in 2014. Until now, most HEAs' superconducting transition temperature (Tc) has not exceeded…
We present a Monte Carlo study of the finite temperature properties of an extended Hubbard-Peierls model describing one dimensional $\pi$-conjugated polymers. The model incorporates electron-phonon and hyperfine interaction and it is solved…
In the past decades many density-functional theory methods and codes adopting periodic boundary conditions have been developed and are now extensively used in condensed matter physics and materials science research. Only in 2016, however,…
A high-resolution investigation of the electron spectra close to the metal-to-insulator transition in dynamic mean-field theory is presented. An all-numerical, consistent confirmation of a smooth transition at zero temperature is provided.…
The superconducting transition temperatures of high-Tc compounds based on copper, iron, ruthenium and certain organic molecules are discovered to be dependent on bond lengths, ionic valences, and Coulomb coupling between electronic bands in…
The temperature dependance of the action in the thin-wall and thick-wall limits is obtained analytically for the $\phi^6$ scalar potential. The nature of the phase transition is investigated from the quantum tunnelling regime at low…
We develop a method to transform a collection of higher-dimensional spin systems from the thermal state with a very high temperature of a local spin-s Hamiltonian to a low-lying energy eigenstate of the same. The procedure utilizes an…
Efficient and high capacity storage materials are indispensable for a hydrogen-based economy. In silico tools can accelerate the process of discovery of new adsorbent materials with optimal hydrogen adsorption enthalpies. Density functional…
The organic metal \theta$-(BETS)$_4$HgBr$_4$(C$_6$H$_5$Cl) is known to undergo a phase transition as the temperature is lowered down to about 240 K. X-ray data obtained at 200 K indicate a corresponding modification of the crystal…
We study the breaking of spin symmetry for the nonlinear Hartree-Fock model describing an infinite translation-invariant interacting quantum gas (fluid phase). At zero temperature and for the Coulomb interaction in three space dimensions,…
Understanding many processes, e.g. fusion experiments, planetary interiors and dwarf stars, depends strongly on microscopic physics modeling of warm dense matter (WDM) and hot dense plasma. This complex state of matter consists of a…
The detection of the (semi)metal-insulator phase transition can be extremely difficult if the local order parameter which characterizes the ordered phase is unknown.In some cases, it is even impossible to define a local order parameter: the…
We develop a finite temperature mean field theory in the path integral picture for an extremely dilute system of interacting Fermions in a plane. In the limit of short ranged interactions, the system is shown to undergo a phase transition…
The effect of scattering of conduction electrons by dynamical spin fluctuations on the thermopower in metals near a thermal phase transition into an antiferromagnetic phase is considered. We are interested in a transition at room…
First principles computational methods can predict the superconducting critical temperature $T_{\mathrm{c}}$ of conventional superconductors through the electron-phonon spectral function. Full convergence of this quantity requires Brillouin…