Relativistically parametrized extended Hueckel calculations. 11. Energy bands for elemental tellurium and polonium

Journal Article · Wed Jun 17 00:00:00 EDT 1987 · Inorg. Chem.; (United States)

DOI:https://doi.org/10.1021/ic00259a039· OSTI ID:6423480

Lohr, L L

An extension of the REX relativistically parametrized extended Hueckel LCAO molecular orbital method to periodic solids is outlined. The method provides a simple and systematic approach to the description of the spin-orbit splitting of energy bands. The method is illustrated with results for the main-group elements tellurium and polonium, with trigonal-helical and simple-cubic structures, respectively. The helical structure of tellurium is described as a distortion of a simple-cubic structure, with the distortion being quenched in the case of polonium by its very large spin-orbit coupling. 36 references, 10 figures, 1 table.

• Research Organization: Univ. of Michigan, Ann Arbor
• OSTI ID: 6423480
• Journal Information: Inorg. Chem.; (United States), Vol. 26:12
• Country of Publication: United States
• Language: English

Related Subjects

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEAR CHEMISTRY
37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
POLONIUM
ELECTRONIC STRUCTURE
TELLURIUM
ENERGY LEVELS
EXPERIMENTAL DATA
DATA
ELEMENTS
INFORMATION
METALS
NUMERICAL DATA
SEMIMETALS
400702* - Radiochemistry & Nuclear Chemistry- Properties of Radioactive Materials
400201 - Chemical & Physicochemical Properties