DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Electron and Nucleon Localization Functions of Oganesson: Approaching the Thomas-Fermi Limit

Journal Article · · Physical Review Letters
 [1];  [2];  [1];  [3]
  1. Massey Univ. Auckland, Auckland (New Zealand). Centre for Theoretical Chemistry and Physics, The New Zealand Inst. for Advanced Study
  2. Michigan State Univ., East Lansing, MI (United States). NSCL/FRIB Lab.
  3. Michigan State Univ., East Lansing, MI (United States). Dept. of Physics and Astronomy, and FRIB Lab.

Fermion localization functions are used to discuss electronic and nucleonic shell structure effects in the superheavy element oganesson, the heaviest element discovered to date. Spin-orbit splitting in the 7p electronic shell becomes so large (~10 eV) that Og is expected to show uniform-gas-like behavior in the valence region with a rather large dipole polarizability compared to the lighter rare gas elements. The nucleon localization in Og is also predicted to undergo a transition to the Thomas-Fermi gas behavior in the valence region. Finally, this effect, particularly strong for neutrons, is due to the high density of single-particle orbitals.

Research Organization:
Michigan State Univ., East Lansing, MI (United States)
Sponsoring Organization:
USDOE National Nuclear Security Administration (NNSA)
Grant/Contract Number:
NA0002847; SC0013365; SC0008511
OSTI ID:
1435753
Alternate ID(s):
OSTI ID: 1418870
Journal Information:
Physical Review Letters, Vol. 120, Issue 5; ISSN 0031-9007
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 68 works
Citation information provided by
Web of Science

References (57)

Superheavy and hyperheavy nuclei in the form of bubbles or semi-bubbles journal April 1999
Range-separated density functional theory: A 4-component relativistic study of the rare gas dimers He2, Ne2, Ar2, Kr2, Xe2, Rn2 and Uuo2 journal February 2012
Synthesis of the isotopes of elements 118 and 116 in the Cf 249 and Cm 245 + Ca 48 fusion reactions journal October 2006
The limits of the nuclear landscape journal June 2012
Synthesis and decay properties of superheavy elements journal January 2006
Chemical studies of elements with Z⩾ 104 in gas phase journal December 2015
Variations on a theme by Skyrme: A systematic study of adjustments of model parameters journal March 2009
Shape coexistence and triaxiality in the superheavy nuclei journal February 2005
An infinite-order two-component relativistic Hamiltonian by a simple one-step transformation journal February 2007
Theoretical Evaluation of Electron Delocalization in Aromatic Molecules by Means of Atoms in Molecules (AIM) and Electron Localization Function (ELF) Topological Approaches journal October 2005
Discovery of the elements with atomic numbers Z = 113, 115 and 117 (IUPAC Technical Report) journal February 2016
Central depression in nucleonic densities: Trend analysis in the nuclear density functional theory approach journal August 2017
Accuracy of relativistic energy-consistent pseudopotentials for superheavy elements 111–118: Molecular calibration calculations journal January 2013
Static Dipole Polarizability of Atoms and Ions in the Thomas-Fermi Model journal March 1979
Nucleon localization and fragment formation in nuclear fission journal December 2016
The molecular mean-field approach for correlated relativistic calculations journal September 2009
Atomic and Molecular Properties of Elements 112, 114, and 118 journal April 2005
Nuclear energy density optimization: Large deformations journal February 2012
Are elements 112, 114, and 118 relatively inert gases? journal July 1975
Electronic structure and properties of superheavy elements journal December 2015
Electronic structure theory of the superheavy elements journal December 2015
A simple measure of electron localization in atomic and molecular systems journal May 1990
Relativistic Dirac-Fock expectation values for atoms with Z = 1 to Z = 120 journal January 1973
Shell stabilization of super- and hyperheavy nuclei without magic gaps journal August 2001
Covariant density functional theory: Reexamining the structure of superheavy nuclei journal November 2015
Studying Chemical Properties of the Heaviest Elements: One Atom at a Time journal April 2017
Relativistic effects in structural chemistry journal May 1988
A suggested periodic table up to Z ≤ 172, based on Dirac–Fock calculations on atoms and ions journal January 2011
Fluorides of radon and element 118 journal January 1975
A measure of electron localizability journal January 2004
Relativistic and quantum electrodynamic effects in superheavy elements journal December 2015
An exact separation of the spin‐free and spin‐dependent terms of the Dirac–Coulomb–Breit Hamiltonian journal February 1994
Element 118: The First Rare Gas with an Electron Affinity journal December 1996
Time-dependent electron localization function journal January 2005
Self-consistent mean-field models for nuclear structure journal January 2003
Electron pair localization function: A practical tool to visualize electron localization in molecules from quantum Monte Carlo data journal July 2004
QED corrections to the binding energy of the eka-radon ( Z = 118 ) negative ion journal February 2003
QED and relativistic corrections in superheavy elements journal July 2007
Localization in light nuclei journal March 2011
Interferometric measurements of the dipole polarizability α of molecules between 300 K and 1100 K: I. Monochromatic measurements at λ = 632·99 nm for the noble gases and H journal April 1990
Superheavy, hyperheavy and bubble nuclei journal March 2001
Adsorption of inert gases including element 118 on noble metal and inert surfaces from ab initio Dirac–Coulomb atomic calculations journal October 2008
A theoretical benchmark study of the spectroscopic constants of the very heavy rare gas dimers journal January 2015
From finite nuclei to the nuclear liquid drop: Leptodermous expansion based on self-consistent mean-field theory journal January 2006
Relativistic Quadruple-Zeta and Revised Triple-Zeta and Double-Zeta Basis Sets for the 4p, 5p, and 6p Elements journal March 2006
Bubbles and semi-bubbles as a new kind of superheavy nuclei journal March 2003
Density distributions of superheavy nuclei journal March 2005
The coulomb redistribution energy as revealed by a refined study of nuclear masses journal January 1992
Shapes and α- and β-decays of superheavy nuclei journal December 2015
Shell structure of superheavy nuclei in self-consistent mean-field models journal August 1999
Advances in the Production and Chemistry of the Heaviest Elements journal October 2012
Shell structure of the superheavy elements journal December 1996
Central depression in nuclear density and its consequences for the shell structure of superheavy nuclei journal February 2005
Relativistic Effects for Polarizabilities and Hyperpolarizabilities of Rare Gas Atoms journal August 2001
Extensions of the Thomas-Fermi approximation for finite nuclei journal October 1976
GRASP: A general-purpose relativistic atomic structure program journal October 1989
ELF: The Electron Localization Function journal September 1997

Cited By (9)

Oganesson ist ein Halbleiter: Über die relativitische Bandlückenkontraktion in den schwersten Edelgasen journal August 2019
A Hundred-Year-Old Experiment Re-evaluated: Accurate Ab Initio Monte Carlo Simulations of the Melting of Radon journal July 2018
Oganesson Is a Semiconductor: On the Relativistic Band‐Gap Narrowing in the Heaviest Noble‐Gas Solids journal August 2019
Generalized relativistic effective core potentials for superheavy elements journal October 2019
The limits of nuclear mass and charge journal June 2018
Impact of pear-shaped fission fragments on mass-asymmetric fission in actinides journal December 2018
Exploring the chemical nature of super-heavy main-group elements by means of efficient plane-wave density-functional theory journal January 2019
2018 Table of static dipole polarizabilities of the neutral elements in the periodic table journal June 2018
Oganesson Is a Semiconductor: On the Relativistic Band-Gap Narrowing in the Heaviest Noble-Gas Solids text January 2019

Figures / Tables (4)