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Physical Review A

Deviations from classical optics in matter diffraction and determination of the size of weakly bound molecules

Gerhard C. Hegerfeldt, Thorsten Köhler

Published Jan 14, 2000• 19 citations
Publisher

Abstract

In atom optics, optical wave theory has been very successful in describing the diffraction of atoms by microfabricated structures. For a molecule, however, with a binding energy smaller than the kinetic energy and with a non-negligible diameter, wave optics may no longer be adequate due to the effects of finite size and breakups. To study the role of the two effects we consider the diffraction of weakly bound diatomic systems such as the helium dimer. We find striking deviations from classical optics, in particular from Babinet's principle, and use the results to clarify the role of finite size and breakups, respectively, in the diffraction from strips, slits, and transmission gratings. As an application the determination of the ${\mathrm{He}}_{2}$ size by transmission through holes and by diffraction experiments is investigated.

DOI
10.1103/physreva.61.023606

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Physical Chemistry Chemical Physics•Jan 1, 2021•2 citations
In atom optics, optical wave theory has been very successful in describing the diffraction of atoms by microfabricated structures. For a molecule, however, with a binding energy smaller than the kinetic energy and with a non-negligible diameter, wave optics may no longer be adequate due to the effects of finite size and breakups. To study the role of the two effects we consider the diffraction of weakly bound diatomic systems such as the helium dimer. We find striking deviations from classical optics, in particular from Babinet's principle, and use the results to clarify the role of finite size and breakups, respectively, in the diffraction from strips, slits, and transmission gratings. As an application the determination of the He2{\mathrm{He}}_{2}He2​ size by transmission through holes and by diffraction experiments is investigated.
Atomic diffraction through double slits and transmission gratings is well described in terms of the associated de Broglie waves and classical wave optics. However, for weakly bound and relatively large systems, such as the He2{}_{2}2​ dimer, this might no longer hold true due to the possibility of breakup processes and finite-size effects. We therefore study the diffraction of weakly bound two-particle systems. If the bar and slit widths of the grating are much larger than the diameter of the two-particle system, we recover the usual optics results. For smaller widths, however, deviations therefrom occur. We find that the location of possible diffraction peaks is indeed still governed by the usual grating function from optics, but the peaks may have a lower intensity. This is not unexpected when breakup processes are allowed. More unusually though, diffraction peaks that would be absent for de Broglie waves may reappear. The results are illustrated for diffraction of He2{}_{2}2​.
Exciting experiments in the field of atom and molecule optics have lately drawn much attention to the effects involved in the coherent diffraction of particle beams. We review the influence of the finite size of the particles and of their energy level spectrum on the diffraction pattern. In turn, we demonstrate how experimental diffraction measurements allow to determine these quantities of weakly bound molecules by considering the diffraction of the dimer and trimer of helium, and the deuterium molecule dimer.
A few years ago, diffraction of atoms by double slits and gratings was achieved for the first time, and standard optical wave-theory provided an excellent description of the experiments. More recently, diffraction of weakly bound molecules and even clusters has been observed. Due to their size and to possible breakup processes optical wave-theory is no longer adequate and a more sophisticated approach is needed. Moreover, surface effects, which can modify the diffraction pattern of atoms and molecules, give rise to further complications. In this article a fully quantum mechanical approach to these questions is discussed.
A molecular beam consisting of small helium clusters is diffracted from a 100 nm period transmission grating. The relative dimer intensities have been measured out to the 7th order and are used to determine the reduction of the effective slit width resulting from the finite size of the dimer. From a theoretical analysis of the data which also takes into account the van der Waals interaction with the grating bars, the bond length (mean internuclear distance) and the binding energy are found to be $〈r〉\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}52\ifmmode\pm\else\textpm\fi{}4\AA{}$ and $|{E}_{b}|\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}1.1+0.3/\ensuremath{-}0.2$ mK.
We study the diffraction of atoms and weakly bound three-atomic molecules from a transmission grating at non-normal incidence. Due to the thickness of the grating bars, the slits are partially shadowed. Therefore, the projected slit width decreases more strongly with the angle of incidence than the projected period, increasing, in principle, the experimental resolution. The shadowing, however, requires a revision of the theory of atom diffraction. We derive an expression in the style of the Kirchhoff integral of optics and show that the diffraction pattern exhibits a characteristic asymmetry which must be accounted for when comparing with experimental data. We then analyze the diffraction of weakly bound trimers and show that their finite size manifests itself in a further reduction of the slit width by (3∕4)⟨r⟩(3∕4)⟨r⟩(3∕4)⟨r⟩ where ⟨r⟩⟨r⟩⟨r⟩ is the average bond length. The improved resolution at non-normal incidence may in particular allow us to discern, by means of their bond lengths, between the small ground state of the helium trimer [$⟨r⟩\ensuremath{\approx}1\phantom{\rule{0.3em}{0ex}}\mathrm{nm}$, Barletta and Kievsky, Phys. Rev. A 64, 042514 (2001)] and its predicted Efimov-type excited state ($⟨r⟩\ensuremath{\approx}8\phantom{\rule{0.3em}{0ex}}\mathrm{nm}$, ibid.), and in this way to experimentally prove the existence of this long-sought Efimov state.
We report on an experimental test of Babinet's principle in quantum reflection of an atom beam from diffraction gratings. The He beam is reflected and diffracted from a square-wave grating at near grazing-incidence conditions. According to Babinet's principle the diffraction peak intensities (except for the specular-reflected beam) are expected to be identical for any pair of gratings of complementary geometry. We observe conditions where Babinet's principle holds and also where it fails. Our data indicate breakdown conditions when either the incident or a diffracted beam propagates close to the grating surface. At these conditions, the incident or the diffracted He beam is strongly affected by the dispersive interaction between the atoms and the grating surface. Babinet's principle is also found to break down, when the complementary grating pair shows a large asymmetry in the strip widths. For very small strip widths, edge diffraction from half planes becomes dominant, whereas for the complementary wide strips the atom-surface interactions leads to a strong reduction of all non-specular diffraction peak intensities.