Related papers: Electron and Nucleon Localization Functions of Oga…
Our gargantuan ab initio all-electron fully relativistic Dirac-Fock (DF), nonrelativistic (NR) Hartree-Fock(HF) and Dirac-Fock-Breit-Gaunt(DFBG) molecular SCF calculations for the superheavy octahedral Oganesson hexatenniside OgTs$_6$…
We present an all-electron, four-component relativistic implementation of electric field gradients (EFGs) at the nuclei using Gaussian-type orbitals and periodic boundary conditions. This allows us to include relativistic effects…
The shell corrections and shell gaps in nuclei are systematically studied with the latest Weizs\"acker-Skyrme (WS4) mass model. We find that most of asymmetric nuclei with (sub)-shell closures locate along the shell stability line (SSL),…
CeMnNi$_4$ exhibits an unusually large spin polarization, but its origin has baffled researchers for more than a decade. We use bulk sensitive hard x-ray photoelectron spectroscopy (HAXPES) and density functional theory based on the Green's…
Measurements and modeling of electron spin transport and dynamics are used to characterize hyperfine interactions in Fe/GaAs devices with $n$-GaAs channels. Ga and As nuclei are polarized by electrically injected electron spins, and the…
Isospin e ffects on multifragmentation properties were studied thanks to nuclear collisions between di fferent isotopes of xenon beams and tin targets. It is shown that, in central collisions leading to multifragmentation, the mean number…
Precise proton and neutron form factor measurements at Jefferson Lab, using spin observables, have recently made a significant contribution to the unraveling of the internal structure of the nucleon. Accurate experimental measurements of…
We discuss the studies on structure functions at the possible future RCNP facility. At this stage, an electron-proton or proton-proton collider with sqrt{s}=5 - 10 GeV is considered. We explain large-x physics, nuclear modification of…
Novel electronic phenomena frequently form in heavy fermions as a consequence of the mutual nature of localization and itineracy of f electrons. On the magnetically ordered side of the heavy fermion phase diagram, f moments are expected to…
The electronic structure of $\beta$-Ti$_{6}$Sn$_{5}$ has been studied based on the density functional theory within the local-density approximation. The calculation indicates that $\beta$-Ti$_{6}$Sn$_{5}$ is very close to ferromagnetic…
As discovered in the quantum Hall effect, a very effective way for strongly-repulsive electrons to minimize their potential energy is to aquire non-zero relative angular momentum. We pursue this mechanism for interacting two-dimensional…
Electronic structure calculations of the Verwey ground state of magnetite, Fe3O4, using density functional theory with treatment of on-site Coulomb interactions (DFT+U scheme) are reported. These calculations use the recently-published…
The layered iron superconductors are discussed using electronic structure calculations. The four families of compounds discovered so far, including Fe(Se,Te) have closely related electronic structures. The Fermi surface consists of…
We study electronic transport properties of ferromagnetic nanoparticle arrays and nanodomain materials near the Curie temperature in the limit of weak coupling between the grains. We calculate the conductivity in the Ohmic and non-Ohmic…
The role of electron-electron interactions on two-dimensional Dirac fermions remains enigmatic. Using a combination of nonperturbative numerical and analytical techniques that incorporate both the contact and long-range parts of the Coulomb…
The electronic band structure of correlated Ca3Ru2O7 featuring an antiferromagnetic as well as a structural transition has been determined theoretically at high temperatures, which has led to the understanding of the remarkable properties…
The thermodynamics of the antiferromagnetic ordering transition in NiO and the photoelectron spectra in the antiferromagnetic phase are studied by the Variational Cluster Approximation. Using realistic Racah parameters to describe the…
The heavy fermion properties are reviewed on selected examples often studied in Grenoble. The physical problems are presented as example of exotic matter at low temperature with three major insights: the localisation of the 4f electrons,…
The properties of inhomogeneous neutron matter are crucial to the physics of neutron-rich nuclei and the crust of neutron stars. Advances in computational techniques now allow us to accurately determine the binding energies and densities of…
We present results for the nucleon electromagnetic and axial form factors using an N$_f$=2 twisted mass fermion ensemble with pion mass of about 131 MeV. We use multiple sink-source separations to identify excited state contamination.…