Ionization potentials of the superheavy element livermorium (Z=116)

doi:10.1063/5.0007145

CORC > 兰州理工大学 > 兰州理工大学

	Ionization potentials of the superheavy element livermorium (Z=116)
	Liu, Juan 1,4; Shen, Xiaozhi 1,4; Wang, Kai 3; Sang, Cuicui 2
刊名	JOURNAL OF CHEMICAL PHYSICS
	2020-05-29
卷号	152 期号:20
ISSN号	0021-9606
DOI	10.1063/5.0007145
英文摘要	Ionization potentials (IPs) of the superheavy element (SHE) livermorium (Lv) and its ions Lv(n+) (n = 1, ..., 6) are obtained using the multiconfiguration Dirac-Hartree-Fock method. The effects of electron correlation in the subshells {6s, 6p, 6d, 7s, 7p} are taken into account, together with the Breit interaction and quantum electrodynamic (QED) effects. In Lv, the strong relativistic effect causes a large splitting between the energies of the 7p(1/2) and 7p(3/2) orbitals, which results in a large difference between IP3 and IP2. As a consequence, the behavior of the IPs of Lv differs from that of the lighter oxygen group elements: among the IPnZ (Z = Se, Te, Po, Lv; n = 1, ..., 6), IP1,2Lv are the smallest, whereas IP3,4,5,6Lv are the second largest among the IP3,4,5,6Z. This jump in IP can be taken to be a natural characteristic of SHEs because the calculations of the difference between IP3 and IP2 are only weakly affected by electron correlation, the Breit interaction, and QED effects, with only the relativistic effect being significant. We also show that the energies and IPs of neutral Lv and Lv(+) are clearly influenced by the electron correlation effect in the subshells {6s, 6p, 6d}. The Breit interaction and QED have an effect on the energies that has an exponential dependence on the atomic number, although they have only a weak influence on the IPs. The analysis of the stabilities of the 2+, 4+, and 6 + states of Lv shows good agreement with predictions from other studies.
WOS研究方向	Chemistry ; Physics
语种	英语
出版者	AMER INST PHYSICS
WOS记录号	WOS:000537109400003
内容类型	期刊论文
源URL	[http://ir.lut.edu.cn/handle/2XXMBERH/155184]
专题	兰州理工大学
作者单位	1.Handan Univ, Sch Mechatron, Handan 056005, Peoples R China; 2.Lanzhou Univ Technol, Sch Sci, Lanzhou 730050, Peoples R China 3.Coll Phys Sci & Technol, Baoding 071002, Peoples R China; 4.Handan Univ, Sch Math & Phys, Handan 056005, Peoples R China;
推荐引用方式 GB/T 7714	Liu, Juan,Shen, Xiaozhi,Wang, Kai,et al. Ionization potentials of the superheavy element livermorium (Z=116)[J]. JOURNAL OF CHEMICAL PHYSICS,2020,152(20).
APA	Liu, Juan,Shen, Xiaozhi,Wang, Kai,&Sang, Cuicui.(2020).Ionization potentials of the superheavy element livermorium (Z=116).JOURNAL OF CHEMICAL PHYSICS,152(20).
MLA	Liu, Juan,et al."Ionization potentials of the superheavy element livermorium (Z=116)".JOURNAL OF CHEMICAL PHYSICS 152.20(2020).