Toward an accurate description of solid-state properties of superheavy elements

Abstract

Abstract. In the last two decades cold and hot fusion experiments lead to the production of new elements for the Periodic Table up to nuclear charge 118. Recent developments in relativistic quantum theory have made it possible to obtain accurate electronic properties for the trans-actinide elements with the aim to predict their potential chemical and physical behaviour. Here we report on first results of solid-state calculations for Og (element 118) to support future atom-at-a-time gas-phase adsorption experiments on surfaces such as gold or quartz.

Solid Oganesson via a Many-Body Interaction Expansion Based on Relativistic Coupled-Cluster Theory and from Plane-Wave Relativistic Density Functional Theory

“…The recently synthesized element oganesson completes the seventh period of the periodic table. − It belongs to the rare gas elements, albeit with some unusual chemical and physical properties. − It has a positive electron affinity due to a low-lying 8s level caused by relativistic effects, − a huge spin–orbit splitting of 10 eV in the valence 7p shell, and shows features close to a Thomas–Fermi gas …”

Colloquium : Superheavy elements: Oganesson and beyond

“…as compared to the other rare gas elements, which increases dispersive interactions (Jerabek et al, 2018). Methods are now available for the accurate determination of bulk properties including phase transitions for the rare gas elements (Pahl et al, 2008;Schwerdtfeger, 2016;Schwerdtfeger and Hermann, 2009). For example, density functional theory predicts solid state properties for the 6d metals from Lr to Rg (Gyanchandani and Sikka, 2011).…”

Oganesson ist ein Halbleiter: Über die relativitische Bandlückenkontraktion in den schwersten Edelgasen

“…Das neu entdeckte superschwere Element Oganesson (Og) gehört zur Gruppe der Edelgase und vollendet die siebte und vermutlich letzte Periode des Periodensystems . Das einzig bekannte Isotop 294 Og ist eher kurzlebig ( ms) und besitzt einige sehr ungewöhnliche Eigenschaften für ein Edelgas . Diese lassen sich auf zwei besonders starke relativistische Effekte zurückführen: i) eine starke Spin‐Bahn‐Aufspaltung der 7p 1/2 ‐ und 7p 3/2 ‐Orbitale mit einem energetischen Abstand von 10.1 eV, und ii) die relativistische Kontraktion des unbesetzten 8s‐Orbitals.…”