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Physical Chemistry Chemical Physics

Theoretical characterization of laser- and sympathetically-cooled ions in surface-electrode ion traps

Iulia Georgescu, Stefan Willitsch

Published Jan 1, 2011• 2 citations
Publisher

Abstract

Using molecular dynamics simulations we characterize theoretically Coulomb clusters of laser- and sympathetically-cooled ions in a five-wire surface-electrode ion trap. We show that the asymmetry of the trapping potential leads to significantly different cluster structures and ion energy distributions in comparison to conventionally used linear Paul traps and to an asymmetric segregation of the ions in bi-component Coulomb clusters. We explore the impact of our results on the implementation of sympathetic cooling of molecular ions in surface-electrode traps and discuss possible challenges for the realization of such experiments.

DOI
10.1039/c1cp20733d

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Physical Review A•Jan 28, 2010•52 citations
Using molecular dynamics simulations we characterize theoretically Coulomb clusters of laser- and sympathetically-cooled ions in a five-wire surface-electrode ion trap. We show that the asymmetry of the trapping potential leads to significantly different cluster structures and ion energy distributions in comparison to conventionally used linear Paul traps and to an asymmetric segregation of the ions in bi-component Coulomb clusters. We explore the impact of our results on the implementation of sympathetic cooling of molecular ions in surface-electrode traps and discuss possible challenges for the realization of such experiments.
We report the sympathetic cooling and Coulomb crystallization of molecular ions above the surface of an ion-trap chip. N2+{\mathrm{N}}_{2}^{+}N2+​ and CaH+{\mathrm{CaH}}^{+}CaH+ ions were confined in a surface-electrode radio-frequency (rf) ion trap and cooled by the interaction with laser-cooled Ca+{\mathrm{Ca}}^{+}Ca+ ions to secular translational temperatures in the millikelvin range. The configuration of trapping potentials generated by the surface electrodes enabled the formation of planar bicomponent Coulomb crystals and the spatial separation of the molecular from the atomic ions on the chip. The structural and thermal properties of the Coulomb crystals were characterized using molecular dynamics simulations. The present study extends chip-based trapping techniques to cold molecular ions with potential applications in mass spectrometry, chemistry, quantum information science, and spectroscopy.
Cold molecular ions are of great interest for applications in cold collision studies, chemistry, precision spectroscopy and quantum technologies. In this context, sympathetic cooling of molecular ions by the interaction with laser-cooled atomic ions is a powerful method to cool their translational motion and achieve translational temperatures in the millikelvin range. Recently, we implemented this method in a surface-electrode ion trap. The flexibility in shaping the trapping potentials offered by the surface-electrode structure enabled us to generate planar bicomponent Coulomb crystals and spatially separate the molecular from the atomic ions. Here, we present a detailed description of the fabrication and simulation of the trap as well as a theoretical and experimental investigation of the structural and energetic properties of the Coulomb crystals obtained in the device. We discuss in more detail the separation of different ion species using static electric fields and explore the effects of trap anharmoncities on the shape of bicomponent crystals.
Coulomb crystals, containing up to a few hundred ions of which more than 50% were cooled sympathetically by the Coulomb interaction with laser cooled Mg+ ions, have been produced in a linear Paul trap. By controlling the balance of the radiation pressure from the two cooling lasers, the Coulomb crystals could be segregated according to ion species. Previous studies of ion crystals and molecular dynamics simulations suggest that the temperature may be around 10 mK or lower. The obtained results indicate that a wide range of atomic and molecular ions, which due to their internal structures are not amenable to direct laser cooling, can be effectively cooled and localized (crystallized) in linear Paul traps. For high resolution spectroscopy of such ions this may turn out to be very useful.
We have created multispecies Coulomb crystals in a linear Paul trap containing up to a few hundred ions of which more than 5050%50 were cooled only sympathetically through the Coulomb interaction with laser-cooled Mg+{\mathrm{Mg}}^{+}Mg+ ions. In an extreme case, one laser-cooled ion maintained order in a 15 ion string. Ion species segregation was obtained by radiation pressure. Previous experiments and molecular dynamics simulations suggest the temperature is 10 mK or lower. These results indicate that a wide range of atomic and molecular ions can be cooled and localized in linear Paul traps which is important for improvements in spectroscopic studies of such ions.
Sympathetic cooling and Coulomb crystallisation of molecular ions above the \nsurface of an ion-trap chip were demonstrated. N2+ and CaH+ ions were confined \nin a surface-electrode radiofrequency ion trap and cooled by the interaction \nwith laser-cooled Ca+ ions to secular translational temperatures in the \nmilliKelvin range. The configuration of trapping potentials generated by the surface \nelectrodes enabled the formation of planar bicomponent Coulomb crystals \nand the spatial separation of the molecular from the atomic ions. The structural \nand thermal properties of the crystals were characterized using molecular \ndynamics simulations. The effects of trap anharmoncities on the shape and \nenergy of bicomponent crystals were theoretically investigated. It was shown \nthat the trapping potentials can also deliberately be engineered to spatially \nseparate ion species in bicomponent crystals. Furthermore, a multi-functional \nsurface-electrode radiofrequency ion-trap chip has been developed to enable experiments \nwith cold molecular ions using a monolithic device. The chip was \ndesigned to combine various tasks such as loading and preparation of ions, mass \nspectrometry, spectroscopy, reaction studies, and manipulation of ion crystals \nin a miniaturised device. This chip features carefully engineered ion channel \nintersections that enable transporting sympathetically cooled molecular ions in \nthe form of bicomponent crystals. A detailed description of the fabrication and \nsimulation of the two chips are presented. The present study extends chipbased \ntrapping techniques to Coulomb-crystallised molecular ions with potential \napplications in mass spectrometry, cold chemistry, quantum technology, and \nspectroscopy.
We describe a simple and fast method for simulating observed images of ion Coulomb crystals. In doing so, cold elastic collisions between Coulomb crystals and virtual very light atoms are implemented in a molecular dynamics (MD) simulation code. Such an approach reproduces the observed images of Coulomb crystals by obtaining density plots of the statistics of existence of each ion. The simple method has the advantage of short computing time in comparison with previous calculation methods. As a demonstration of the simulation, the formation of a planar Coulomb crystal with a small number of ions has been investigated in detail in a linear ion trap both experimentally and by simulation. However, also large Coulomb crystals including up to 1400 ions have been photographed and simulated to extract the secular temperature and the number of ions. For medium-sized crystals, a comparison between experiments and calculations has been performed. Moreover, an MD simulation of the sympathetic cooling of small molecular ions was performed in order to test the possibility of extracting the temperature and the number of refrigerated molecular ions from crystal images of laser-cooled ions. Such information is basic to studying ultracold ion-molecule reactions using ion Coulomb crystals including sympathetically cooled molecular ions.