Related papers: New Pseudo-Phase Structure for $\alpha$-Pu
We propose a pseudopotential for the electron-electron Coulomb interaction to improve the efficiency of many-body electronic structure calculations. The pseudopotential accurately replicates the scattering properties of the Coulomb…
Superconductivity owes its properties to the phase of the electron pair condensate that breaks the $U(1)$ symmetry. In the most traditional ground state, the phase is uniform and rigid. The normal state can be unstable towards special…
A new-type structural transition has been found in Li2RuO3 with honeycomb lattice of edge-sharing RuO6-octahedra. With decreasing temperature T, the electrical resistivity exhibits an anomalous increase at T=Tc~540 K, suggesting the (metal…
We classify the different phases by the "pole-zero mechanism" for a holographic fermionic system which contains a dipole coupling with strength $p$ on a Q-lattice background. A complete phase structure in $p$ space can be depicted in terms…
Colloidal crystals are used to understand fundamentals of atomic rearrangements in condensed matter and build complex metamaterials with unique functionalities. Simulations predict a multitude of self-assembled crystal structures from…
We show that when the Aubry transition occurs in incommensurately distorted structures, the amplitude of the distortions is not necessarily large as suggested by the standard Frenkel-Kontorova mechanical model. By modifying the shape of the…
A cubic structure of polymer colloid complexes is studied. The technique of the research includes i) an analysis of well-known literature SAXS data; on this base, at some assumptions, ii) constructing a simple model to estimate geometric…
Fine structure in the $\alpha$ decay of $^{223}$U was observed in the fusion-evaporation reaction $^{187}$Re($^{40}$Ar, p3n) by using fast digital pulse processing technique. Two $\alpha$-decay branches of $^{223}$U feeding the ground state…
We systematically investigate the electronic structure, magnetic order, and valence states of $\alpha$-Pu$_{2}$O$_{3}$ (\emph{C}-type) by using first-principles calculations. $\alpha$-Pu$_{2}$O$_{3}$ can be constructed from PuO$_{2}$ by…
In this work, phase diagrams of a modified two-mode phase-field crystal (PFC) that show two-dimensional (2D) and three-dimensional (3D) crystallographic structures were determined by utilizing a free energy minimization method. In this…
In this paper we provide a detailed convergence analysis for an unconditionally energy stable, second-order accurate convex splitting scheme for the Modified Phase Field Crystal equation, a generalized damped wave equation for which the…
$\Lambda$-doubling of diatomic molecules is a subtle microscopic phenomenon that has long attracted the attention of experimental groups, insofar as rotation of molecular $\textit{nuclei}$ induces small energetic changes in the (degenerate)…
The thermodynamic stabilities of various phases of the nitrides of the platinum metal elements are systematically studied using density functional theory. It is shown that for the nitrides of Rh, Pd, Ir and Pt two new crystal structures, in…
We use energy minimization principles to predict the structure of a decagonal quasicrystal - d(AlCoNi) - in the Cobalt-rich phase. Monte Carlo methods are then used to explore configurations while relaxation and molecular dynamics are used…
Carbon exhibits both a layered ground state structure that produces two-dimensional (2D) nanosheets and a non-layered diamond structure created under high pressure conditions. Motivated by this metastability relationship, we revisit the…
The charge spin-separation, pseudogap formation and phase diagrams are studied in two and four site Hubbard clusters using analytical diagonalization and grand canonical ensemble method in a multidimensional parameter space of temperature,…
Nuclear matter at large number of colors is necessarily in a solid phase. In particular holographic nuclear matter takes the form of a crystal of instantons of the flavor group. In this article we initiate the analysis of the…
We apply inverse statistical-mechanical methods to find a simple family of optimized isotropic, monotonic pair potentials, under certain constraints, whose ground states for a wide range of pressures is the diamond crystal. These…
The pseudopotential method is used to derive electron hole structures in a suprathermal plasma having a regularized $\kappa$ probability distribution function background. The regularized character allows the exploration of small $\kappa$…
The frustrated quantum spin system on the distorted diamond chain lattice is investigated using the numerical diagonalization of finite-size clusters and the level spectroscopy analysis. In the previous work this system was revealed to…