Related papers: Phase Separation in Li$_x$FePO$_4$ Induced by Corr…
We study the phase diagram of a mixture of Bose-Einstein condensate and a two-component Fermi gas. In particular, we identify the regime where the homogeneous system becomes unstable against phase separation. We show that, under proper…
The temperature and gate voltage dependences of the phase breaking time are studied experimentally in GaAs/InGaAs heterostructures with single quantum well. It is shown that appearance of states at the Fermi energy in the doped layers leads…
Dalitz decays of $\omega$ and $\rho$ mesons, $\omega\to \pi^0\gamma^*\to\pi^0 e^+e^-$ and $\rho^0\to \pi^0\gamma^*\to\pi^0 e^+e^-$, produced in $pp$ collisions are calculated within a covariant effective meson-nucleon theory. We argue that…
Conduction electrons in disordered metals and heavily doped semiconductors at low temperatures preserve their phase coherence for a long time: phase relaxation time $\tau_\phi$ can be orders of magnitude longer than the momentum relaxation…
With a treatment of the 4$f$ states of EuB$_6$ based on LDA+U method, the mixing of Eu $f$ states with B $p$ states around the X point of the Brillouin zone is shown to have unexpected consequences for the effective exchange interactions.…
In this paper, we consider a coupled PDE system describing phase separation and damage phenomena in elastically stressed alloys in the presence of inertial effects. The material is considered on a bounded Lipschitz domain with mixed…
We propose new methodologies for stabilizing all-metal antiaromatic clusters like: Al$_{4}$Li$_{4}$. We demonstrate that these all-metal species can be stabilized by complexation with 3d-transition metals very similar to its organic…
Here we show the description of the full incorporation thermodynamics in nanocrystalline LixFePO4 where the full range from x=0 to 1 is experimentally accessible. The following points are most important: the treatment in terms of the…
Vacuum polarisation (VP) and electron self energy (SE) are implemented and evaluated as quantum electrodynamic (QED) corrections in a (quasi-relativistic) two-component zeroth order regular approximation (ZORA) framework. For VP, the…
The electronic structure and properties of PuO$_{2}$ and Pu$_{2}$O$_{3}$ have been studied from first principles by the all-electron projector-augmented-wave (PAW) method. The local density approximation (LDA)+$U$ and the generalized…
In transition-metal compounds, the transition-metal d electrons play an important role in their physical properties; however, the effects of the electron correlation between the ligand p electrons have not been clear yet. In this Letter,…
Spin-state transitions, observed in many transition metal compounds containing Co$^{3+}$ and Fe$^{2+}$, may occur with the change of temperature, pressure, but also with doping, in which case the competition of single-site effects and…
The random phase approximation (RPA) for the electron correlation energy, combined with the exact-exchange energy, represents the state-of-the-art exchange-correlation functional within density-functional theory (DFT). However, the standard…
The ground-state properties of Fe, Co, and Ni are studied with the linear-augmented-plane-wave (LAPW) method and norm-conserving pseudopotentials. The calculated lattice constant, bulk modulus, and magnetic moment with both the…
The collision of two expanding plasma clouds is investigated, emphasizing instabilities and electron energization in the plasma mixing layer. This work is directly relevant to laboratory experiments with explosively-created laser or z-pinch…
We analyze the generation of kinetic instabilities and their effect on the energization of ions in non-relativistic, oblique collisionless shocks using a 3D-3V simulation by $\texttt{dHybridR}$, a hybrid particle-in-cell code. At…
We present the method of the self-consistent calculation of thermodynamical and correlation functions. This approach is based on the GRPA (generalized random phase approximation) scheme with the inclusion of the mean field corrections.…
Refractory high-entropy alloys are under consideration for applications where materials are subjected to high temperatures and levels of radiation, such as in the fusion power sector. However, at present, their scope is limited because they…
We demonstrate that the inclusion of van der Waals dispersive interaction sensibly improves the prediction of lattice constants by density functional theory in iron-chalcogenides (FeCh) superconductor compounds, namely FeSe and FeTe. We…
Porous electrodes composed of multiphase active materials are widely used in Li-ion batteries, but their dynamics are poorly understood. Two-phase models are largely empirical, and no models exist for three or more phases. Using a modified…