Search results for " orbita"
showing 10 items of 447 documents
Proton Shell Evolution below Sn132 : First Measurement of Low-Lying β -Emitting Isomers in Ag123,125
2019
The β-delayed γ-ray spectroscopy of neutron-rich 123;125Ag isotopes is investigated at the Radioactive Isotope Beam Factory of RIKEN and the long-predicted 1/2¯ β-emitting isomers in 123;125Ag are identified for the first time. With the new experimental results, the systematic trend of energy spacing between the lowest 9/2+ and 1/2¯ levels is extended in Ag isotopes up to N = 78, providing a clear signal for the reduction of the Z = 40 subshell gap in Ag towards N = 82. Shellmodel calculations with the state-of-the-art VMU plus M3Y spin-orbit interaction give a satisfactory description of the low-lying states in 123;125Ag. The tensor force is found to play a crucial role in the evolution of…
In-Beam Study of213Rn,215Ra and217Ra: Strongly Enhanced E3 Transitions in Odd-A N= 127 Isotones
1983
With the aim of searching for high-spin configurations involving the high-j neutron orbitals, excited states in 213Rn, 215Ra and 217Ra were populated in the bombardment of 208Pb with 13C ions. Gamma-ray singles, excitation functions and angular distributions, pulsed-beam-γ timing and γ-γ(t) coincidences were measured. Six isomeric levels were observed in 213Rn, three in 215Ra while none in 217Ra. The lowest-lying 15/2- states in all odd-A N = 127 isotones are de-excited by E3 transitions with a strength of about 23 W.u, suggesting that they are all coupled to the octupole phonon. In 217Ra no evidence for collective behavior is found despite its closeness to the actinide region. The low-lyin…
Electronic structure of Gold, Aluminum and Gallium Superatom Complexes
2011
Using ab initio computational techniques on crystal determined clusters, we report on the similarities and differences of Al${}_{50}$(C${}_{5}$(CH${}_{3}{{)}_{5})}_{12}$, Ga${}_{23}$(N(Si(CH${}_{3}{)}_{3}$)${}_{2}$)${}_{11}$, and Au${}_{102}$(SC${}_{7}$O${}_{2}$H${}_{5}$)${}_{44}$ ligand-protected clusters. Each of the ligand-protected clusters in this study shows a similar stable character which can be described via an electronic shell model. We show here that the same type of analysis leads consistently to derivation of a superatomic electronic counting rule, independently of the metal and ligand compositions. One can define the cluster core as the set of atoms where delocalized single-an…
Density functional study of alkali-metal atoms and monolayers on graphite (0001)
2007
Alkali metal atoms (Li, Na, K, Rb, Cs), dimers and (2$\times$2) monolayers on a graphite (0001) surface have been studied using density functional theory, pseudopotentials, and a periodic substrate. The adatoms bind at the hollow site (graphite hexagon), with Li lying closest to (1.84 ��) and Cs farthest (3.75 ��) from the surface. The adsorption energies range between $0.55-1.21$ eV, and the energy ordering of the alkali adatoms is Li$>$Cs$\ge$Rb$\ge$K$>$Na. The small diffusion barriers (0.02-0.21 eV for the C-C bridge) decrease as the atom size increases, indicating a flat potential energy surface. The formation (cohesion) energies of (2$\times$2) monolayers range between 0.55-0.81 …
Orbitronics: orbital currents in solids
2021
In solids, electronic Bloch states are formed by atomic orbitals. While it is natural to expect that orbital composition and information about Bloch states can be manipulated and transported, in analogy to the spin degree of freedom extensively studied in past decades, it has been assumed that orbital quenching by the crystal field prevents significant dynamics of orbital degrees of freedom. However, recent studies reveal that an orbital current, given by the flow of electrons with a finite orbital angular momentum, can be electrically generated and transported in wide classes of materials despite the effect of orbital quenching in the ground state. Orbital currents also play a fundamental …
Ballistic transport through quantum point contacts of multi-orbital oxides
2020
Linear and non-linear transport properties through an atomic-size point contact based on oxides two-dimensional electron gas is examined using the tight-binding method and the $\mathbf{k\cdot p}$ approach. The ballistic transport is analyzed in contacts realized at the (001) interface between band insulators $LaAlO_3$ and $SrTiO_3$ by using the Landauer-B\"uttiker method for many sub-bands derived from three Ti 3d orbitals ($d_{yz}$, $d_{zx}$ and $d_{xy}$) in the presence of an out-of-plane magnetic field. We focus especially on the role played by the atomic spin-orbit coupling and the inversion symmetry breaking term pointing out three transport regimes: the first, at low energies, involvi…
Laplacian-level density functionals for the exchange-correlation energy of low-dimensional nanostructures
2010
In modeling low-dimensional electronic nanostructures, the evaluation of the electron-electron interaction is a challenging task. Here we present an accurate and practical density-functional approach to the two-dimensional many-electron problem. In particular, we show that spin-density functionals in the class of meta-generalized-gradient approximations can be greatly simplified by reducing the explicit dependence on the Kohn-Sham orbitals to the dependence on the electron spin density and its spatial derivatives. Tests on various quantum-dot systems show that the overall accuracy is well preserved, if not even improved, by the modifications.
Fingerprints of spin-orbital polarons and of their disorder in the photoemission spectra of doped Mott insulators with orbital degeneracy
2017
We explore the effects of disordered charged defects on the electronic excitations observed in the photoemission spectra of doped transition metal oxides in the Mott insulating regime by the example of the $R_{1-x}$Ca$_x$VO$_3$ perovskites, where $R=$La,$\dots$,Lu. A fundamental characteristic of these vanadium $d^2$ compounds with partly filled $t_{2g}$ valence orbitals is the persistence of spin and orbital order up to high doping, in contrast to the loss of magnetic order in high-$T_c$ cuprates at low defect concentration. We demonstrate that the disordered electronic structure of doped Mott-Hubbard insulators can be obtained with high precision within the unrestricted Hartree-Fock appro…
State preparation and dynamics of ultracold atoms in higher lattice orbitals
2007
We report on the realization of a multi-orbital system with ultracold atoms in the excited bands of a 3D optical lattice by selectively controlling the band population along a given lattice direction. The lifetime of the atoms in the excited band is found to be considerably longer (10-100 times) than the characteristic time scale for inter-site tunneling, thus opening the path for orbital selective many-body physics with ultracold atoms. Upon exciting the atoms from an initial lowest band Mott insulating state to higher lying bands, we observe the dynamical emergence of coherence in 1D (and 2D), compatible with Bose-Einstein condensation to a non-zero momentum state.
On the theoretical analysis of the lowest many-electron states for cyclic zigzag graphene nano-ribbons
2014
We have calculated the optical and magnetic properties of the four lowest many-body states for cyclic zigzag graphene nano-ribbons (GNRs). The results have been obtained within the semi-empirical restricted frozen Hartree?Fock approximation. Firstly, we obtained one-determinant numerical and analytical coincident results. We detected the existence of two degenerate open-shell molecular orbitals (MOs) o, o?. Due to this degeneracy, some of the mentioned results do depend on any (arbitrary) orthogonal transformation between these two MOs. We have improved these preliminary results by using linear combinations of two determinants, which are eigenfunctions of the operators, which commute with t…