Quadrupole moments of Cd and Zn nuclei: When solid-state, molecular, atomic, and nuclear theory meet

TY - JOUR

T1 - Quadrupole moments of Cd and Zn nuclei: When solid-state, molecular, atomic, and nuclear theory meet

AU - Haas, Heinz

AU - Sauer, Stephan P. A.

AU - Hemmingsen, Lars Bo Stegeager

AU - Kellö, Vladimir

AU - Zhao, Pengwei W.

PY - 2017/3

Y1 - 2017/3

N2 - The nuclear quadrupole moment (Q) of the 5/2+ isomeric state of 111Cd, of particular importance to the interpretation of Perturbed Angular Correlation experiments in condensed matter, was determined by combining existing PAC data with high-level ab initio (CCSD(T)) calculations for Cd-dimethyl and hybrid density functional theory for metallic Cd. A revised value of Q = .641(25) b is found, much reduced from earlier estimates. Using the new result together with the values for other Cd isotopes from atomic data, also recently revised, the trend of Q for the 11/2- states in Cd is in perfect agreement with new nuclear covariant density functional theory calculations. Similar theoretical work for metallic Zn and the ZnS molecule, combined with atomic calculations, also results in an equivalent reduction for the reference value of the 67Zn 5/2-ground state quadrupole moment to Q = .125(5) b.

AB - The nuclear quadrupole moment (Q) of the 5/2+ isomeric state of 111Cd, of particular importance to the interpretation of Perturbed Angular Correlation experiments in condensed matter, was determined by combining existing PAC data with high-level ab initio (CCSD(T)) calculations for Cd-dimethyl and hybrid density functional theory for metallic Cd. A revised value of Q = .641(25) b is found, much reduced from earlier estimates. Using the new result together with the values for other Cd isotopes from atomic data, also recently revised, the trend of Q for the 11/2- states in Cd is in perfect agreement with new nuclear covariant density functional theory calculations. Similar theoretical work for metallic Zn and the ZnS molecule, combined with atomic calculations, also results in an equivalent reduction for the reference value of the 67Zn 5/2-ground state quadrupole moment to Q = .125(5) b.

U2 - 10.1209/0295-5075/117/62001

DO - 10.1209/0295-5075/117/62001

M3 - Journal article

SN - 0295-5075

VL - 117

JO - Lettere Al Nuovo Cimento

JF - Lettere Al Nuovo Cimento

IS - 6

M1 - 62001

ER -