Finite-field calculation of electric quadrupole moments of 2P3/2, 2D3/2,5/2, and 2F5/2,7/2 states for Yb+ ion

doi:10.1088/1674-1056/ab821c

中国物理B ›› 2020, Vol. 29 ›› Issue (5): 53101-053101.doi: 10.1088/1674-1056/ab821c

• SPECIAL TOPIC—Recent advances in thermoelectric materials and devices • 上一篇下一篇

Finite-field calculation of electric quadrupole moments of ²P_3/2, ²D_3/2,5/2, and ²F_5/2,7/2 states for Yb⁺ ion

Xi-Tong Guo(郭希同), Yan-Mei Yu(于艳梅), Yong Liu(刘永), Bing-Bing Suo(索兵兵)

1 State Key Laboratory of Metastable Materials Science and Technology&Key Laboratory for Microstructural Material Physics of Hebei Province, School of Science, Yanshan University, Qinhuangdao 066004, China;
2 Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China;
3 Institute of Modern Physics, Northwest University, Xi'an 710069, China

收稿日期:2020-02-19 修回日期:2020-03-10 出版日期:2020-05-05 发布日期:2020-05-05
通讯作者: Yan-Mei Yu, Yong Liu, Bing-Bing Suo E-mail:ymyu@aphy.iphy.ac.cn;ycliu@ysu.edu.cn;bsuo@nwu.edu.cn
基金资助:
Project supported by the National Natural Science Foundation of China (Grant No. 11874064), the Strategic Priority and the Research Program of the Chinese Academy of Sciences (Grant No. XDB21030300), the National Key Research and Development Program of China (Grant No. 2016YFA0302104). Yong Liu acknowledges the Project of Hebei Educational Department, China (Grant No. ZD2018015) and the Natural Science Foundation of Hebei Province, China (Grant No. A2019203507). Bing-Bing Suo acknowledges the financial support from the National Natural Science foundation of China (Grant Nos. 21673174 and 21873077).

Finite-field calculation of electric quadrupole moments of ²P_3/2, ²D_3/2,5/2, and ²F_5/2,7/2 states for Yb⁺ ion

Xi-Tong Guo(郭希同)^1,2, Yan-Mei Yu(于艳梅)², Yong Liu(刘永)¹, Bing-Bing Suo(索兵兵)³

1 State Key Laboratory of Metastable Materials Science and Technology&Key Laboratory for Microstructural Material Physics of Hebei Province, School of Science, Yanshan University, Qinhuangdao 066004, China;
2 Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China;
3 Institute of Modern Physics, Northwest University, Xi'an 710069, China

Received:2020-02-19 Revised:2020-03-10 Online:2020-05-05 Published:2020-05-05
Contact: Yan-Mei Yu, Yong Liu, Bing-Bing Suo E-mail:ymyu@aphy.iphy.ac.cn;ycliu@ysu.edu.cn;bsuo@nwu.edu.cn
Supported by:
Project supported by the National Natural Science Foundation of China (Grant No. 11874064), the Strategic Priority and the Research Program of the Chinese Academy of Sciences (Grant No. XDB21030300), the National Key Research and Development Program of China (Grant No. 2016YFA0302104). Yong Liu acknowledges the Project of Hebei Educational Department, China (Grant No. ZD2018015) and the Natural Science Foundation of Hebei Province, China (Grant No. A2019203507). Bing-Bing Suo acknowledges the financial support from the National Natural Science foundation of China (Grant Nos. 21673174 and 21873077).

摘要/Abstract

摘要： Electric quadrupole moments of low-lying excited states of Yb⁺ are calculated by relativistic coupled-cluster theory with perturbations from external fields. The field-dependent energy differentiation provides accurate values of the electric quadrupole moments of ²P_3/2, ²D_{3/2, 5/2}, and ²F_5/2,7/2 states which agree well with experimental values. The important role of the electronic correlation to the electric quadrupole moments is investigated. Our calculations indicate the early dispute of the electric quadrupole moment of the Yb⁺(²F_7/2) state for which the measured and theoretical values have a large discrepancy. These electric quadrupole moment values can help us to determine the electric quadrupole shifts in start-of-the-art experiments of the Yb⁺ ion.

关键词: Yb⁺, finite-field method, electric quadrupole moment, relativistic coupled-cluster

Abstract: Electric quadrupole moments of low-lying excited states of Yb⁺ are calculated by relativistic coupled-cluster theory with perturbations from external fields. The field-dependent energy differentiation provides accurate values of the electric quadrupole moments of ²P_3/2, ²D_{3/2, 5/2}, and ²F_5/2,7/2 states which agree well with experimental values. The important role of the electronic correlation to the electric quadrupole moments is investigated. Our calculations indicate the early dispute of the electric quadrupole moment of the Yb⁺(²F_7/2) state for which the measured and theoretical values have a large discrepancy. These electric quadrupole moment values can help us to determine the electric quadrupole shifts in start-of-the-art experiments of the Yb⁺ ion.

Key words: Yb⁺, finite-field method, electric quadrupole moment, relativistic coupled-cluster

中图分类号: (Polarizabilities and other atomic and molecular properties)

31.15.ap

31.15.aj (Relativistic corrections, spin-orbit effects, fine structure; hyperfine structure) 32.10.Dk (Electric and magnetic moments, polarizabilities)

郭希同, 于艳梅, 刘永, 索兵兵. Finite-field calculation of electric quadrupole moments of ²P_3/2, ²D_3/2,5/2, and ²F_5/2,7/2 states for Yb⁺ ion[J]. 中国物理B, 2020, 29(5): 53101-053101.

Xi-Tong Guo(郭希同), Yan-Mei Yu(于艳梅), Yong Liu(刘永), Bing-Bing Suo(索兵兵). Finite-field calculation of electric quadrupole moments of ²P_3/2, ²D_3/2,5/2, and ²F_5/2,7/2 states for Yb⁺ ion[J]. Chin. Phys. B, 2020, 29(5): 53101-053101.

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Finite-field calculation of electric quadrupole moments of ²P_3/2, ²D_3/2,5/2, and ²F_5/2,7/2 states for Yb⁺ ion

Finite-field calculation of electric quadrupole moments of ²P_3/2, ²D_3/2,5/2, and ²F_5/2,7/2 states for Yb⁺ ion

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