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%).
UR - http://www.scopus.com/inward/record.url?scp=8344277401&partnerID=8YFLogxK
U2 - 10.1103/PhysRevB.37.4893
DO - 10.1103/PhysRevB.37.4893
M3 - Article
AN - SCOPUS:8344277401
VL - 37
SP - 4893
EP - 4899
JO - Physical Review B-Condensed Matter
JF - Physical Review B-Condensed Matter
SN - 0163-1829
IS - 10
ER -