相关论文: Thermodynamic stability of Fe/O solid solution at …

A translation invariant system of interacting quantum anharmonic oscillators indexed by the elements of a simple cubic lattice $\mathbb{Z}^d$ is considered. The anharmonic potential is of general type, which in particular means that it…

Density functional theory was applied to study influence of the isolated impurity located on the regular site of the alpha-Fe crystal on the charge and spin density (hyperfine interactions) on the iron nucleus. Calculations were performed…

We study transient thermal processes in infinite harmonic crystals with complex (polyatomic) lattice. Initially particles have zero displacements and random velocities such that distribution of temperature is spatially uniform. Initial…

We report inelastic light scattering measurements of lattice dynamics related to the incommensurate orbital order in $\mathrm{CaMn_7O_{12}}$. Below the ordering temperature $T_\mathrm{o} \approx 250 \,\mathrm{K}$, we observe extra phonon…

Reversible, diffusionless, first-order solid-solid phase transitions accompanied by caloric effects are critical for applications in the solid-state cooling and heat-pumping devices. Accelerated discovery of caloric materials requires…

Entropic contributions to the stability of solids are very well understood and the mixing entropy has been used for forming various solids, for instance such as inverse spinels. A particular development was related to high entropy alloys in…

We performed first-principle calculations based on the supercell and cluster approaches to investigate the neutral Al impurity in smoky quartz. Electron paramagnetic resonance measurements suggest that the oxygens around the Al center…

We studied thermochemical characteristics of the Sm1+xBa2-xCu3Oy single crystals by solution calorimetry. Dependences of formation enthalpies from samarium content were constructed. It was established that solid solutions on the bases of…

We develop a machine-learned interatomic potential for AlCrCuFeNi high-entropy alloys (HEA) using a diverse set of structures from density functional theory calculated including magnetic effects. The potential is based on the…

In this paper we develop an analytic expression for the critical temperature for a gas of ideal bosons in a combined harmonic lattice potential, relevant to current experiments using optical lattices. We give corrections to the critical…

We present high-resolution $K$-band emission spectra of the quintessential hot Jupiter HD 189733 b from the Keck Planet Imager and Characterizer (KPIC). Using a Bayesian retrieval framework, we fit the dayside pressure-temperature profile,…

High-entropy oxide (HEO) thin films uniquely superimpose exceptional chemical disorder with exceptional crystalline quality and coherence - an intersection we term anomalous crystallinity that arises from coupled structural, chemical, and…

The intrinsic iron(III) impurity center in polycrystalline lead titanate was investigated by means of high-frequency electron paramagnetic resonance (EPR) spectroscopy in order to determine the local-environment sensitive fine structure…

We propose that impurity-induced electronic nematic state is realized above the orthorhombic structure transition temperature $T_S$ in iron-pnictide superconductors. In the presence of strong orbital fluctuations near $T_S$, it is…

We propose a new simple way to evaluate the effect of anharmonicity on a system's thermodynamic functions such as heat capacity. In this approach, the contribution of all potentially complicated anharmonic effects to constant-volume heat…

In this study, novel exact solutions of the Duffing equation with their phase portraits have been proposed and reasoned. It is shown that phase trajectories are initially elliptical and become distorted in the unstable area within the…

In the fcc lattice of Pd, hydrogen occupies octahedral interstitial positions with cubic symmetry. One could therefore expect that in dilute solid H solutions in Pd the fundamental band of optical H vibrations should be reduced to a narrow…

We consider a mobile impurity immersed in a Bose gas at finite temperature. Using perturbation theory valid for weak coupling between the impurity and the bosons, we derive analytical results for the energy and damping of the impurity for…

We study kinetic master equations for chemical reactions involving the formation and the natural decay of unstable particles in a thermal bath. We consider the decay channel of one into two particles, and the inverse process, fusion of two…

We study the phase equilibrium between liquid water and ice Ih modeled by the TIP4P/Ice interatomic potential using enhanced sampling molecular dynamics simulations. Our approach is based on the calculation of ice Ih-liquid free energy…