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Chinese Physics B

Determination of static dipole polarizabilities of Yb atom

Zhi-Ming Tang, Yanmei Yu, Chenzhong Dong

Published Jun 1, 2018• 8 citations
Publisher

Abstract

We determine the static values of the scalar and tensor dipole polarizabilities of the ground, 6s6p 3 P 0 o , and 6s6p 3 P 1 o states of the Yb atom. These results can be useful in many experiments undertaken using this atom. We employed a combined configuration interaction (CI) method and a second-order many-body perturbation theory (MBPT) to evaluate energies and electric dipole (E1) matrix elements of many low-lying excited states of the above atom. These values are compared with the other available theoretical calculations and experimental values. By combining these E1 matrix elements with the experimental excitation energies, we estimate the dominant valence correlation contributions to the dipole polarizabilities of the above states. The core contribution is obtained from the finite field approach. We also compare these values with the other theoretical results as there are no precise experimental values that are available for these properties.

DOI
10.1088/1674-1056/27/6/063101

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We determine the static values of the scalar and tensor dipole polarizabilities of the ground, 6s6p 3 P 0 o , and 6s6p 3 P 1 o states of the Yb atom. These results can be useful in many experiments undertaken using this atom. We employed a combined configuration interaction (CI) method and a second-order many-body perturbation theory (MBPT) to evaluate energies and electric dipole (E1) matrix elements of many low-lying excited states of the above atom. These values are compared with the other available theoretical calculations and experimental values. By combining these E1 matrix elements with the experimental excitation energies, we estimate the dominant valence correlation contributions to the dipole polarizabilities of the above states. The core contribution is obtained from the finite field approach. We also compare these values with the other theoretical results as there are no precise experimental values that are available for these properties.
Using the relativistic coupled-cluster method, we calculate the static dipole polarizabilities of the 6p6p6p, 7s7s7s, 7p7p7p, 8s8s8s, 8p8p8p, and 6d6d6d states and the dynamic dipole polarizabilities of the 6p6p6p and 7s7s7s states of the thallium atom. The trivalent thallium atom is computationally treated as a monovalent system, together with all linear and nonlinear terms of single- and double-cluster operators included in the correlation calculations. We observe that the dominating contributions to the static scalar polarizabilities of the 7s1/27{s}_{1/2}7s1/2​, 7p1/27{p}_{1/2}7p1/2​, 8p1/28{p}_{1/2}8p1/2​, and 8p3/28{p}_{3/2}8p3/2​ states are from one or two specific transitions. The matrix elements of these specific transitions can be determined by combining the experimental values of relevant static scalar polarizabilities. A number of magic wavelengths for the 6p1/26{p}_{1/2}6p1/2​--7s7s7s and 6p3/26{p}_{3/2}6p3/2​--7s7s7s transitions in the range of 488--1300 nm and the longest tune-out wavelength of the ground state are determined. These magic wavelengths and tune-out wavelength may be useful for further thallium experiments. Experimental measurements of the magic wavelengths near 1245 nm would give estimates of the 7s1/27{s}_{1/2}7s1/2​--7p1/27{p}_{1/2}7p1/2​ and 7s1/27{s}_{1/2}7s1/2​--7p3/27{p}_{3/2}7p3/2​ transition matrix elements and their ratio. Furthermore, lifetimes of many excited states, as well as the Stark-induced scalar and vector dipole polarizabilities for the 6p1/26{p}_{1/2}6p1/2​--7p1/27{p}_{1/2}7p1/2​ transition, are also evaluated and compared with available theoretical and experimental values.
We carry out relativistic many-body calculations of the static and dynamic dipole polarizabilities of the ground 6s 2 1 S 0 and the first excited 6s6p 3 P o 0 states of Yb. With these polarizabilities, we compute several properties of Yb relevant to optical lattice clocks operating on the 6s 2 1 S 0 –6s6p 3 P o 0 transition. We determine (i) the first four magic wavelengths of the laser field for which the frequency of the clock transition is insensitive to the laser intensity. While the first magic wavelength is known, we predict the second, the third and the fourth magic wavelengths to be 551 nm, 465 nm and 413 nm. (ii) We re-evaluate the effect of black-body radiation on the frequency of the clock transition, the resulting clock shift at T = 300 K being −1.41(17) Hz. (iii) We compute long-range interatomic van der Waals coefficients (in a.u.) C 6 (6s 2 1 S 0 + 6s 2 1 S 0 ) = 1909(160), C 6 (6s 2 1 S 0 + 6s6p 3 P 0 ) = 2709(338) and C 6 (6s6p 3 P 0 + 6s6p 3 P 0 ) = 3886(360). Finally, we determine the atom-wall interaction coefficients (in a.u.), C 3 (6s 2 1 S 0 ) = 3.34 and C 3 (6s6p 3 P 0 ) = 3.68. We also address and resolve a disagreement between previous calculations of the static polarizability of the ground state.
The wave functions, energy levels and matrix elements of Yb+ ions are calculated using the relativistic configuration interaction plus core polarization (RCICP) method. The static and dynamic electric dipole polarizabilities of the ground state and low-lying excited states are determined. Then, the magic wavelengths of the magnetic sublevel 6s1/2,m = 1/2 → 5d3/2,m = ±3/2,±1/2 and 6s1/2,m = 1/2 → 5d5/2,m = ±5/2,±3/2,±1/2 transitions in the linearly, right-handed, and left-handed polarized light are further determined. The dependence of the magic wavelengths upon the angle between the direction of magnetic field and the direction of laser polarization is analyzed.
We utilize accurate experimental data available in the literature to yield bounds on the polarizabilities of the ground and first-excited states of atomic Yb. For the 6s21S06{s}^{2}{\phantom{\rule{0.16em}{0ex}}}^{1}\phantom{\rule{-0.16em}{0ex}}{S}_{0}^{}6s21S0​ ground state, we find the polarizability $\ensuremath{\alpha}$ to be constrained to $134.4<\ensuremath{\alpha}\ensuremath{\le}144.2$ in atomic units while for the 6s6p3P0o6s6p{\phantom{\rule{0.16em}{0ex}}}^{3}\phantom{\rule{-0.16em}{0ex}}{P}_{0}^{o}6s6p3P0o​ excited state, we find $280.1<\ensuremath{\alpha}\ensuremath{\le}289.9$. The uncertainty in each of these values is 1.0. These constraints provide a valuable check for ab initio and semiempirical methods used to compute polarizabilities and other related properties in Yb.
Calculations of the static electric-dipole scalar and tensor polarizabilities are presented for two alkali-metal atoms, Rb and Cs, for the $nS, n{P}_{\textonehalf{},\phantom{\rule{0.16em}{0ex}}3/2}$, and nD3/2,5/2n{D}_{3/2,\phantom{\rule{0.16em}{0ex}}5/2}nD3/2,5/2​ states with large principal quantum numbers up to n=50n=50n=50. The calculations are performed within an effective one-electron approximation, based on the Dirac-Fock Hamiltonian with a semiempirical core-polarization potential. The obtained results are compared with those from a simpler semiempirical approach and with available experimental data.