Paramagnetic resonance hyperfine structure of hexachloroprotactinate(IV)

Ramiro Arratia-Perez, Dennis S. Marynick

Resultado de la investigación: Article

6 Citas (Scopus)

Resumen

Dirac scattered-wave calculations are presented for the PaCl62- cluster that models the Pa4+ impurity site in the octahedral Cs2ZrCl6 lattice. The calculations predict a Γ7u ground state, and show fairly good agreement with the observed g tensor, Pa231 hyperfine interactions, and crystal-field splittings. The Zeeman and Pa231 hyperfine interactions are isotropic, arising from the large orbital contributions to the magnetic moment of the ground Kramers doublet. The amount of covalency is predicted to be about 3%, and the largest contribution to covalency comes from the chlorine 3d5/2 spinors (∼2%).

Idioma originalEnglish
Páginas (desde-hasta)4893-4899
Número de páginas7
PublicaciónPhysical Review B
Volumen37
N.º10
DOI
EstadoPublished - 1988

Huella dactilar

paramagnetic resonance
hyperfine structure
Paramagnetic resonance
Chlorine
Magnetic moments
Crystal lattices
Ground state
crystal field theory
Tensors
chlorine
magnetic moments
interactions
tensors
Impurities
orbitals
impurities
Crystals
ground state

ASJC Scopus subject areas

  • Condensed Matter Physics

Citar esto

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abstract = "Dirac scattered-wave calculations are presented for the PaCl62- cluster that models the Pa4+ impurity site in the octahedral Cs2ZrCl6 lattice. The calculations predict a Γ7u ground state, and show fairly good agreement with the observed g tensor, Pa231 hyperfine interactions, and crystal-field splittings. The Zeeman and Pa231 hyperfine interactions are isotropic, arising from the large orbital contributions to the magnetic moment of the ground Kramers doublet. The amount of covalency is predicted to be about 3{\%}, and the largest contribution to covalency comes from the chlorine 3d5/2 spinors (∼2{\%}).",
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Paramagnetic resonance hyperfine structure of hexachloroprotactinate(IV). / Arratia-Perez, Ramiro; Marynick, Dennis S.

En: Physical Review B, Vol. 37, N.º 10, 1988, p. 4893-4899.

Resultado de la investigación: Article

TY - JOUR

T1 - Paramagnetic resonance hyperfine structure of hexachloroprotactinate(IV)

AU - Arratia-Perez, Ramiro

AU - Marynick, Dennis S.

PY - 1988

Y1 - 1988

N2 - Dirac scattered-wave calculations are presented for the PaCl62- cluster that models the Pa4+ impurity site in the octahedral Cs2ZrCl6 lattice. The calculations predict a Γ7u ground state, and show fairly good agreement with the observed g tensor, Pa231 hyperfine interactions, and crystal-field splittings. The Zeeman and Pa231 hyperfine interactions are isotropic, arising from the large orbital contributions to the magnetic moment of the ground Kramers doublet. The amount of covalency is predicted to be about 3%, and the largest contribution to covalency comes from the chlorine 3d5/2 spinors (∼2%).

AB - Dirac scattered-wave calculations are presented for the PaCl62- cluster that models the Pa4+ impurity site in the octahedral Cs2ZrCl6 lattice. The calculations predict a Γ7u ground state, and show fairly good agreement with the observed g tensor, Pa231 hyperfine interactions, and crystal-field splittings. The Zeeman and Pa231 hyperfine interactions are isotropic, arising from the large orbital contributions to the magnetic moment of the ground Kramers doublet. The amount of covalency is predicted to be about 3%, and the largest contribution to covalency comes from the chlorine 3d5/2 spinors (∼2%).

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U2 - 10.1103/PhysRevB.37.4893

DO - 10.1103/PhysRevB.37.4893

M3 - Article

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EP - 4899

JO - Physical Review B-Condensed Matter

JF - Physical Review B-Condensed Matter

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