Related papers: Electron and Nucleon Localization Functions of Oga…
The concept of the electron localization function (ELF) is extended to two-dimensional (2D) electron systems. We show that the topological properties of the ELF in 2D are considerably simpler than in molecules studied previously. We compute…
Because of the long Fermi wavelength of itinerant electrons, the quantum limit of elemental bismuth (unlike most metals) can be attained with a moderate magnetic field. The quantized orbits of electrons shrink with increasing magnetic…
We consider the Abelian Higgs model in 3+1 dimensions with vortex lines, into which charged fermions are introduced. This could be viewed as a model of a type-II superconductor with unpaired electrons (or holes), analogous to the…
We investigate some surfaces of a paradigmatic sp bonded metal--namely, Al(110), Al(100), and Al(111)--by means of the "electron localization function" (ELF), implemented in a first-principle pseudopotential framework. ELF is a ground-state…
Electron scattering methods, involving nucleus which have little or no intrinsic deformation suggest nucleon distribution to be of Fermi type. This distribution is further parameterised as Wood Saxon (WS) distribution, where an uniform…
The properties of toroidal hyperheavy even-even nuclei and the role of toroidal shell structure are extensively studied within covariant density functional theory. The general trends in the evolution of toroidal shapes in the $Z\approx…
Measurements of the de Haas-van Alphen effect in CexLa1-xRhIn5 reveal that the Ce 4f electrons remain localized for all x, with the mass enhancement and progressive loss of one spin from the de Haas-van Alphen signal resulting from spin…
In the Kohn-Sham orbital basis imaginary-time path integral for electrons in a semiconductor nanoparticle has a mild Fermion sign problem and is amenable to evaluation by the standard stochastic methods. This is evidenced by the simulations…
We calculate the spectrum and allowed E1 transitions of the superheavy element Og (Z=118). A combination of configuration interaction (CI) and perturbation theory (PT) is used (Dzuba \textit{et at.} Phys. Rev. A, \textbf{95}, 012503…
Electronic structure calculations were performed on the compound CoS$_2$, an itinerant ferromagnet whose magnetic properties can be understood in terms of spin fluctuation theory. We have identified nesting features in the Fermi surface of…
New emergent states of matter in quantum systems may be created under non-equilibrium conditions if - through many body interactions - its constituents order on a timescale which is shorter than the time required for the system to reach…
The temperature-dependent electronic structures of heavy fermion compound CeB$_{6}$ are investigated thoroughly by means of the combination of density functional theory and single-site dynamical mean-field theory. The band structure,…
The Electron Localization Function (ELF) by Becke and Edgecombe [J. Chem. Phys. {\bf 92}, 5397 (1990)] is routinely adopted as a descriptor of atomic shells and covalent bonds. Since the ELF and its related quantities find useful…
The latest discovery of high temperature superconductivity near 80K in La3Ni2O7 under high pressure has attracted much attention. Many proposals are put forth to understand the origin of superconductivity.The determination of electronic…
We present the results of self-consistent calculations of the electronic shell and supershell structure for clusters having up to 6000 valence electrons. The ionic background is described in terms of a homogeneous jellium. The calculations…
A heavy-fermion paramagnet UTe$_2$ has been a strong candidate for a spin-triplet superconductor. Experiments on UTe$_2$ under pressure have been vigorously conducted, and rich phase diagrams have been suggested. Multiple superconducting…
Using a finite-size scaling method, we calculate the localization properties of a disordered two-dimensional electron system in the presence of a random magnetic field. Below a critical energy $E_c$ all states are localized and the…
We report on the numerical study of the relaxation rates of nuclear spins coupled through the hyperfine interaction to a two dimensional electron gas (2DEG) at magnetic fields corresponding to both fractional and integral Landau level (LL)…
The transport properties of neutron star matter play an important role in many astrophysical processes. We report the results of a calculation of the shear viscosity and thermal conductivity coefficients of the hard-sphere fermion system of…
Partial electron localization in a finite-size superlattice placed in an electric field is considered. The role of electric field in forming of quasilocalized states is investigated. A quantitative criterion for the degree of partial…