Related papers: Relative energetics and structural properties of z…
Sintered samples of monoclinic zirconia (alpha-ZrO2) have been irradiated at room temperature with 6.0-GeV Pb ions in the electronic slowing down regime. X-ray diffraction (XRD) and micro-Raman spectroscopy measurements showed unambiguously…
The orbital motion of electrons in a three-dimensional solid can generate a pseudoscalar magnetoelectric coupling $\theta$, a fact we derive for the single-particle case using a recent theory of polarization in weakly inhomogeneous…
The five-band Hubbard model for a $d$ band with one electron per site is a model which has very interesting properties when the relevant ions are located at sites with high (e. g. cubic) symmetry. In that case, if the crystal field…
We use a recent approach [Phys. Rev. Letters, {\bf 84}, 959 (2000)] for including Coulomb interactions in quantum systems via a classical mapping of the pair-distribution functions (PDFs) for a study of the 2-D electron gas. As in the 3-D…
We calculate the orbital magnetization of single and double quantum dots coupled both by Coulomb interaction and by electron tunneling. The electronic states of the quantum dots are calculated in a tight-binding model and the magnetization…
At the limit of an infinite confinement strength $\omega$, the ground state of a system that comprises two fermions or bosons in a harmonic confinement interacting through the Fermi--Huang pseudopotential remains strongly correlated. A…
Electronic structure calculations on the low dimensional spin-1/2 compound TiOCl were performed at several pressures in the orthorhombic phase, finding that the structure is quasi-one-dimensional. The Ti3+ (d1) ions have one t2g orbital…
Changes in crystalline phases resulting from low-temperature ageing of different yttria doped and non-doped zirconia-toughened alumina composites and nanocomposites were investigated under controlled humidity and temperature conditions in…
We demonstrate the existence of orbital Coulomb phase as the exact ground state of p-orbital exchange Hamiltonian on the diamond lattice. The Coulomb phase is an emergent state characterized by algebraic dipolar correlations and a gauge…
We revisit the Bohr-Sommerfeld atomic model to explore hydrogen-like ions of Uranium ($Z=92$), Oganesson ($Z=118$), and hypothetical superheavy elements beyond. Although superseded by the Dirac equation and modern quantum electrodynamics,…
The electron-phonon interaction contribution to the electronic energies is included in density functional total energy calculations with ab initio pseudopotentials via the Allen formalism [Phys. Rev. B 18, 5217 (1978)] to obtain temperature…
Transition metal oxides have been one of the central objects in the studies of electron correlation effects because of their rich variety of physical properties mainly depending on the transition metal element. On the other hand, exploiting…
We study the thermally activated, slow conversion of the hysteretically retained $\omega$ phase into stable $\alpha$ phase in recovered samples of shocked zirconium. The $\omega$-phase decays in time following an algebraic law, unlike the…
In mean field approximation, we study a chiral soliton of the linear sigma model with two flavors at finite temperature and density. The stable soliton solutions are calculated with some appropriate boundary conditions. Energy and radius of…
By solving the covariant relativistic Schr\"odinger equations for a pair of heavy quarks, we obtained the wave functions for the ground and excited quarkonium states at finite temperature. In comparison with the non-relativistic…
In the present work we have proposed the method that allows one to easily estimate hardness and bulk modulus of known or hypothetical solid phases from the data on Gibbs energy of atomization of the elements and corresponding covalent…
The magnetic phase diagram and the thermodynamic properties of a square lattice containing antiferromagnetically coupled spin-1/2 triangles are studied. A Heisenberg Hamiltonian with three strong intra-triangle exchange coupling constants…
An atomistic effective Hamiltonian technique is used to investigate the finite-temperature energy storage properties of a ferroelectric nanocomposite consisting of an array of BaTiO$_{3}$ nanowires embedded in a SrTiO$_{3}$ matrix, for…
We investigate the electromagnetic polarizabilities of singly heavy mesons and doubly heavy baryons within the framework of heavy hadron chiral perturbation theory up to $\mathcal{O}(p^3)$. We estimate the low-energy constants using the…
In this paper, we consider the Dirac-Coulomb equation for many-particles, to describe the interaction between electrons in the system having many electrons. The four-component wave function will expanding into a finite basis-set, using…