Anisotropic hyperfine interactions of xenon nuclei surrounding a copper atom

Journal Article · Thu Jun 16 04:00:00 EDT 1988 · J. Phys. Chem.; (United States)

DOI:https://doi.org/10.1021/j100323a011· OSTI ID:6180907

Mattar, S M

The electronic structure and magnetic properties of a Cu atom trapped in an octahedral substitutional site of twelve Xe atoms are computed by the multiple scattering local-density-functional method. The experimental Cu and Xe hyperfine splittings agree within 25% with those computed by this technique. The Xe hyperfine tensor is found to be anisotropic and arises from a weak sigma-type bonding between the Cu and Xe atoms. These findings are in agreement with Adrian's theory that predicts anisotropic Xe hyperfine splittings. The isotropic appearance of the experimental Xe splittings is suggested to arise from an isotropic g tensor and the numerous overlapping lines of the two Xe isotopes.

• Research Organization: Univ. of New Brunswick, Fredericton (Canada)
• OSTI ID: 6180907
• Journal Information: J. Phys. Chem.; (United States), Journal Name: J. Phys. Chem.; (United States) Vol. 92:12; ISSN JPCHA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
ANISOTROPY
COPPER
CRYSTAL FIELD
CRYSTAL STRUCTURE
DATA
ELECTRONIC STRUCTURE
ELEMENTS
FLUIDS
GASES
HYPERFINE STRUCTURE
INFORMATION
MAGNETIC PROPERTIES
MATHEMATICAL MODELS
MATRIX ISOLATION
METALS
NONMETALS
NUMERICAL DATA
PHYSICAL PROPERTIES
RARE GASES
TENSOR FORCES
TENSORS
THEORETICAL DATA
TRANSITION ELEMENTS
XENON