- Physical Review Journals
All JournalsPhysics Magazine
Access Provided by Xinjiang University

Physical Review A

Export citation

Export citation

Choose format for download:

Download Citation
  • Access by Xinjiang University

Cold collisions between alkali metals and alkaline-earth metals in the heteronuclear atom-ion system Li+Ba+

Dibyendu Sardar1,* and Somnath Naskar2,†

  • 1JILA, University of Colorado, Boulder, Colorado 80309, USA
  • 2Department of Physics, Jogesh Chandra Chaudhuri College, Kolkata 700033, India

  • *Corresponding author: chem.dibyandu.sardar@gmail.com
  • †snaskar@jogeshchaudhuricollege.org
PDF

Phys. Rev. A 107, 043323 – Published 26 April, 2023

DOI: https://doi.org/10.1103/PhysRevA.107.043323

Abstract

In a recent experiment [P. Weckesser et al., Nature (London) 600, 429 (2021)], the quantum s-wave regime was attained for an alkali-metal and alkaline-earth atom-ion combination (LiBa+). We investigate possible outcomes from the interaction of this ion-atom pair at quantum regimes from a theoretical point of view. For this purpose, Born-Oppenheimer potential energy surfaces are constructed for the three lowest dissociation channels of the (Ba−Li)+ molecular system using a multireference configuration interaction electronic-structure calculation. We present elastic, spin-exchange (SE), and diffusion cross sections in different energy regimes. The collisional properties of this system are calculated in terms of the scattering phase shifts and scattering cross sections, and the semiclassical behavior at a relatively high energy limit is also examined. For SE collisions, phase locking is obtained towards lower partial waves.

View figure in article

Physics Subject Headings (PhySH)

Article Text

References (46)

  1. J. Weiner, V. S. Bagnato, S. Zilio, and P. S. Julienne, Experiments and theory in cold and ultracold collisions, Rev. Mod. Phys. 71, 1 (1999).
  2. T. Köhler, K. Góral, and P. S. Julienne, Production of cold molecules via magnetically tunable Feshbach resonances, Rev. Mod. Phys. 78, 1311 (2006).
  3. L. D. Carr, D. DeMille, R. V. Krems, and J. Ye, Cold and ultracold molecules: Science, technology and applications, New J. Phys. 11, 055049 (2009).
  4. S. Schmid, A. Härter, and J. H. Denschlag, Dynamics of a Cold Trapped Ion in a Bose-Einstein Condensate, Phys. Rev. Lett. 105, 133202 (2010).
  5. R. Côté, From Classical Mobility to Hopping Conductivity: Charge Hopping in an Ultracold Gas, Phys. Rev. Lett. 85, 5316 (2000).
  6. R. Côté, V. Kharchenko, and M. D. Lukin, Mesoscopic Molecular Ions in Bose-Einstein Condensates, Phys. Rev. Lett. 89, 093001 (2002).
  7. D. Sardar, S. Naskar, A. Pal, H. Berriche, and B. Deb, Formation of a molecular ion by photoassociative raman processes, J. Phys. B 49, 245202 (2016).
  8. L. Ratschbacher, C. Zipkes, C. Sias, and M. Köhl, Controlling chemical reactions of a single particle, Nat. Phys. 8, 649 (2012).
  9. L. Ratschbacher, C. Sias, L. Carcagni, J. M. Silver, C. Zipkes, and M. Köhl, Decoherence of a Single-Ion Qubit Immersed in a Spin-Polarized Atomic Bath, Phys. Rev. Lett. 110, 160402 (2013).
  10. H. Doerk, Z. Idziaszek, and T. Calarco, Atom-ion quantum gate, Phys. Rev. A 81, 012708 (2010).
  11. H. Ladjimi, D. Sardar, M. Farjallah, N. Alharzali, S. Naskar, R. Mlika, H. Berriche, and B. Deb, Spectroscopic properties of the molecular ions BeX+ (X= Na, K, Rb): Forming cold molecular ions from an ion-atom mixture by stimulated raman adiabatic process, Mol. Phys. 116, 1812 (2018).
  12. O. P. Makarov, R. Côté, H. Michels, and W. W. Smith, Radiative charge-transfer lifetime of the excited state of (NaCa)+, Phys. Rev. A 67, 042705 (2003).
  13. A. K. Belyaev, S. A. Yakovleva, M. Tacconi, and F. A. Gianturco, Resonances in Ca++Rb nonadiabatic collisions at ultralow energies, Phys. Rev. A 85, 042716 (2012).
  14. B. McLaughlin, H. Lamb, I. Lane, and J. McCann, Ultracold, radiative charge transfer in hybrid Yb ion–Rb atom traps, J. Phys. B 47, 145201 (2014).
  15. M. Tomza, C. P. Koch, and R. Moszynski, Cold interactions between an Yb+ ion and a Li atom: Prospects for sympathetic cooling, radiative association, and Feshbach resonances, Phys. Rev. A 91, 042706 (2015).
  16. M. Farjallah, D. Sardar, N. El-Kork, B. Deb, and H. Berriche, Electronic structure and photoassociation scheme of ultracold (MgK+) molecular ions, J. Phys. B 52, 045201 (2019).
  17. M. Farjallah, D. Sardar, B. Deb, and H. Berriche, Electronic structure, spectroscopy, cold ion-atom elastic collision properties and photoassociation formation prediction of (MgCs)+ molecular ion, arXiv:2210.01193.
  18. P. Zhang, A. Dalgarno, R. Côté, and E. Bodo, Charge exchange in collisions of beryllium with its ion, Phys. Chem. Chem. Phys. 13, 19026 (2011).
  19. N. Alharzali, D. Sardar, R. Mlika, B. Deb, and H. Berriche, Spectroscopic properties and cold elastic collisions of alkaline-earth Mg+Mg+ system, J. Phys. B 51, 195201 (2018).
  20. P. Zhang, A. Dalgarno, and R. Côté, Scattering of Yb and Yb+, Phys. Rev. A 80, 030703(R) (2009).
  21. M. Cetina, A. T. Grier, and V. Vuletić, Micromotion-Induced Limit to Atom-Ion Sympathetic Cooling in Paul Traps, Phys. Rev. Lett. 109, 253201 (2012).
  22. H. Fürst, T. Feldker, N. V. Ewald, J. Joger, M. Tomza, and R. Gerritsma, Dynamics of a single ion-spin impurity in a spin-polarized atomic bath, Phys. Rev. A 98, 012713 (2018).
  23. T. Feldker, H. Fürst, H. Hirzler, N. Ewald, M. Mazzanti, D. Wiater, M. Tomza, and R. Gerritsma, Buffer gas cooling of a trapped ion to the quantum regime, Nat. Phys. 16, 413 (2020).
  24. P. Weckesser, F. Thielemann, D. Wiater, A. Wojciechowska, L. Karpa, K. Jachymski, M. Tomza, T. Walker, and T. Schaetz, Observation of Feshbach resonances between a single ion and ultracold atoms, Nature (London) 600, 429 (2021).
  25. C. Ticknor, C. A. Regal, D. S. Jin, and J. L. Bohn, Multiplet structure of Feshbach resonances in nonzero partial waves, Phys. Rev. A 69, 042712 (2004).
  26. T. Sikorsky, Z. Meir, R. Ben-Shlomi, N. Akerman, and R. Ozeri, Spin-controlled atom-ion chemistry, Nat. Commun. 9, 920 (2018).
  27. T. Sikorsky, M. Morita, Z. Meir, A. A. Buchachenko, R. Ben-shlomi, N. Akerman, E. Narevicius, T. V. Tscherbul, and R. Ozeri, Phase Locking between Different Partial Waves in Atom-Ion Spin-Exchange Collisions, Phys. Rev. Lett. 121, 173402 (2018).
  28. H.-J. Werner, P. J. Knowles, G. Knizia, F. R. Manby, and M.Schütz, Molpro A general-purpose quantum chemistry program package, WIREs Comput. Mol. Sci. 2, 242 (2012).
  29. B. P. Prascher, D. E. Woon, K. A. Peterson, T. H. Dunning, and A. K. Wilson, Gaussian basis sets for use in correlated molecular calculations. VII. Valence, core-valence, and scalar relativistic basis sets for Li, Be, Na, and Mg, Theor. Chem. Acc. 128, 69 (2011).
  30. J. G. Hilland K. A. Peterson, Gaussian basis sets for use in correlated molecular calculations. XI. Pseudopotential-based and all-electron relativistic basis sets for alkali metal (K–Fr) and alkaline earth (Ca–Ra) elements, J. Chem. Phys. 147, 244106 (2017).
  31. I. S. Lim, P. Schwerdtfeger, B. Metz, and H. Stoll, All-electron and relativistic pseudopotential studies for the group 1 element polarizabilities from K to element 119, J. Chem. Phys. 122, 104103 (2005).
  32. R. Yu, A. Kramida, J. Reader, W. Martin, A. Musgrove, E. Saloman, C. Sansonetti, and J. Curry, NIST Atomic Spectra Database, available at https://www.nist.gov/pml/atomic-spectra-database (NIST, Gaithersburg, 2006).
  33. R. W. Molof, H. L. Schwartz, T. M. Miller, and B. Bederson, Measurements of electric dipole polarizabilities of the alkali-metal atoms and the metastable noble-gas atoms, Phys. Rev. A 10, 1131 (1974).
  34. W. E. Cooke, T. F. Gallagher, R. M. Hill, and S. A. Edelstein, Resonance measurements of d−f and d−g intervals in lithium Rydberg states, Phys. Rev. A 16, 1141 (1977).
  35. T. M. Miller and B. Bederson, Atomic and molecular polarizabilities—A review of recent advances, Adv. At. Mol. Phys. 13, 1 (1978).
  36. B. K. Sahoo and B. P. Das, Relativistic coupled-cluster studies of dipole polarizabilities in closed-shell atoms, Phys. Rev. A 77, 062516 (2008).
  37. E. L. Snow and S. R. Lundeen, Fine-structure measurements in high-Ln=17 and 20 Rydberg states of barium, Phys. Rev. A 76, 052505 (2007).
  38. B. K. Sahoo, R. G. E. Timmermans, B. P. Das, and D. Mukherjee, Comparative studies of dipole polarizabilities in Sr+, Ba+, and Ra+ and their applications to optical clocks, Phys. Rev. A 80, 062506 (2009).
  39. M. Śmiałkowski and M. Tomza, Interactions and chemical reactions in ionic alkali-metal and alkaline-earth-metal diatomic AB+ and triatomic A2B+ systems, Phys. Rev. A 101, 012501 (2020).
  40. A. R. Edmonds, Angular Momentum in Quantum Mechanics (Princeton University Press, Princeton, 1996).
  41. R. Côté, in Advances in Atomic, Molecular, and Optical Physics, edited by L. F. DiMauro, H. Perrin, and S. F. Yelin (Elsevier, Amsterdam, 2016), Vol. 65, Chap. 2, pp. 67–126.
  42. A. Dalgarno and A. Williams, The second approximation to the mobilities of ions in gases, Proc. Phys. Soc. 72, 274 (1958).
  43. A. Dalgarno, M. C. McDowell, and A. Williams, The mobilities of ions in unlike gases, Philos. Trans. R. Soc. London Ser. A 250, 411 (1958).
  44. A. Dalgarno and D. R. Bates, The mobilities of ions in their parent gases, Philos. Trans. R. Soc. London Ser. A 250, 426 (1958).
  45. E. W. McDaniel and E. A. Mason, Mobility and Diffusion of Ions in Gases (Wiley, New York, 1973).
  46. D. Sardar, A. Rakshit, S. Naskar, and B. Deb, Multichannel quantum defect theory with numerical reference functions: Applications to cold atomic collisions, arXiv:2004.09091.

Outline

Information

Phys. Rev. A 107, 043323– Published 26 April, 2023
  • Received 26 December 2022
  • Accepted 3 April 2023
Crossmark - Check for updates button

©2023 American Physical Society

Sign In to Your Journals Account

Filter

Filter

Article Lookup

Enter a citation