Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

arXiv:2509.08336 · Europhysics Letters (EPL)

Atomic diffraction by patterned holes in hexagonal boron nitride: A comparison between semi-classical and quantum computational models (a)

Eivind Kristen Osestad, Ekaterina Zossimova, Michael Walter, Johannes Fiedler

Published Aug 8, 2025• 1 citation
arXivHTMLPDF

Abstract

Abstract The diffraction of atoms and molecules through tiny, sub-nanometre holes in atomically thin membranes is a promising approach for advancing atom interferometry sensing and atomic holography. However, dispersion interactions, such as the Casimir-Polder force, pose a significant challenge by attracting diffracting particles to the membrane, limiting the minimum hole size. This paper presents a numerical simulation of helium matter-wave diffraction through sub-nanometre holes in hexagonal boron nitride by solving the time-dependent Schrödinger equation. Our results show that the transmission rates in the quantum approach are significantly higher than those predicted by the commonly used semi-classical approach. This suggests that significantly smaller holes can be used in the design of diffractive masks, provided that fabrication techniques can meet the atomic-level precision to realise such holes. Furthermore, we observe notable differences in diffraction patterns, even for atom velocities that are much greater than the expected convergence threshold between semi-classical and quantum computational models.

DOI
10.1209/0295-5075/adf994

Related papers

Atomic diffraction by nanoholes in hexagonal boron nitride

Eivind Kristen Osestad, Ekaterina Zossimova, Michael Walter +2 more

Fabricating patterned nanostructures with matter waves can help to realise new nanophotonic devices. However, due to dispersion effects, designing patterns with nanoscale features is challenging. Here, we consider the propagation of a helium matter wave through different holes in hexagonal boron nitride (h-BN) as a case study for the weakest dispersion interaction and the matter wave's diffraction as it passes through the holes. We use a quantum-mechanical model to calculate the polarisability of edge atoms around the holes, where we observe polarisation ripples of enhanced and reduced polarisabilities around the holes. We use these values to calculate van der Waals dispersion coefficients for the scattered helium atoms. We find that the resulting diffraction patterns are affected by the shape and size of the holes, where the smallest holes have a radius of just 6 Å. These results can be used to predict the resolution limits of nano-hole patterns on nanophotonic materials.

arXiv:2406.16543•Nanoscale Advances•Jan 1, 2024•2 citations

An atom passing through a hole in a dielectric membrane: impact of dispersion forces on mask-based matter-wave lithography

Johannes Fiedler, Bodil Holst

Abstract Fast, large area patterning of arbitrary structures down to the nanometre scale is of great interest for a range of applications including the semiconductor industry, quantum electronics, nanophotonics and others. It was recently proposed that nanometre-resolution mask lithography can be realised by sending metastable helium atoms through a binary holography mask consisting of a pattern of holes. However, these first calculations were done using a simple scalar wave approach, which did not consider the dispersion force interaction between the atoms and the mask material. To access the true potential of the idea, it is necessary to access how this interaction affects the atoms. Here we present a theoretical study of the dispersion force interaction between an atom and a dielectric membrane with a hole. We look at metastable and ground state helium, using experimentally realistic wavelengths (0.05–1 nm) and membrane thicknesses (5–50 nm). We find that the effective hole radius is reduced by around 1–7 nm for metastable helium and 0.5–3.5 nm for ground-state helium. As expected, the reduction is largest for thick membranes and slow atoms.

arXiv:2201.03845•Journal of Physics B Atomic Molecular and Optical Physics•Jan 13, 2022•13 citations

Quantum description of atomic diffraction by material nanostructures

Charles Garcion, Quentin Bouton, Julien Lecoffre +4 more

We present a theoretical model of matter-wave diffraction through a material nanostructure. This model is based on the numerical solution of the time-dependent Schr{ö}dinger equation, which goes beyond the standard semi-classical approach. In particular, we consider the dispersion force interaction between the atoms and the material, which is responsible for high energy variations. The effect of such forces on the quantum model is investigated, along with a comparison with the semi-classical model. In particular, for atoms at low velocity and close to the material surface, the semi-classical approach fails, while the quantum model accurately describes the expected diffraction pattern. This description is thus relevant for slow and cold atom experiments where increased precision is required, e.g. for metrological applications.

arXiv:2312.12818•Dec 20, 2023•0 citations

Quantum description of atomic diffraction by material nanostructures

Charles Garcion, Quentin Bouton, Julien Lecoffre +4 more

We present a theoretical model of matter-wave diffraction through a material nanostructure. This model is based on the numerical solution of the time-dependent Schrödinger equation, which goes beyond the standard semiclassical approach. In particular, we consider the dispersion force interaction between the atoms and the material, which is responsible for high energy variations. The effect of such forces on the quantum model is investigated, along with a comparison with the semiclassical model. In particular, for atoms at low velocity and close to the material surface, the semiclassical approach fails, while the quantum model accurately describes the expected diffraction pattern. This description is thus relevant for slow and cold atom experiments where increased precision is required, e.g., for metrological applications. Published by the American Physical Society 2024

Physical Review Research•May 13, 2024•8 citations

Diffraction of polar molecules at nanomasks with low charge density

Ksenija Simonović, Richard Ferstl, Anders J. Barlow +3 more

The wave nature of matter is a cornerstone of modern physics and has been demonstrated for a wide range of fundamental and composite particles. While diffraction at nanomechanical masks is usually regarded to be independent of internal atomic or molecular states, the particles' polarizabilities and dipole moments lead to dispersive interactions with the grating surface. In prior experiments, such forces largely prevented coherent diffraction of polar molecules as they induce dephasing of the matter wave in the presence of randomly distributed charges inside the grating. Here, we show that surface milling using neon ions facilitates the fabrication of lowly charged nanomasks in gold-capped silicon nitride membranes. This allows us to observe diffraction of polar molecules with over four times larger electric dipole moment than in previous experiments, opening a path towards distinction of structural conformers in matter-wave experiments. Published by the American Physical Society 2024

arXiv:2401.05854•Physical Review Research•Jul 25, 2024•4 citations

Using Atomic Diffraction of Na from Material Gratings to Measure Atom-Surface Interactions

John D. Perreault, Alexander D. Cronin, Tim A. Savas

In atom optics a material structure is commonly regarded as an amplitude mask for atom waves. However, atomic diffraction patterns formed using material gratings indicate that material structures also operate as phase masks. In this study a well collimated beam of sodium atoms is used to illuminate a silicon nitride grating with a period of 100 nm. During passage through the grating slots atoms acquire a phase shift due to the van der Waals interaction with the grating walls. As a result the relative intensities of the matter-wave diffraction peaks deviate from those expected for a purely absorbing grating. Thus a complex transmission function is required to explain the observed diffraction envelopes. An optics perspective to the theory of atomic diffraction from material gratings is put forth in the hopes of providing a more intuitive picture concerning the influence of the vdW potential. The van der Waals coefficient $C_{3} = 2.7\pm 0.8{meV nm}^{3}$ is determined by fitting a modified Fresnel optical theory to the experimental data. This value of $C_{3}$ is consistent with a van der Waals interaction between atomic sodium and a silicon nitride surface.

arXiv:physics/0312123•Dec 19, 2003•0 citations
Abstract The diffraction of atoms and molecules through tiny, sub-nanometre holes in atomically thin membranes is a promising approach for advancing atom interferometry sensing and atomic holography. However, dispersion interactions, such as the Casimir-Polder force, pose a significant challenge by attracting diffracting particles to the membrane, limiting the minimum hole size. This paper presents a numerical simulation of helium matter-wave diffraction through sub-nanometre holes in hexagonal boron nitride by solving the time-dependent Schrödinger equation. Our results show that the transmission rates in the quantum approach are significantly higher than those predicted by the commonly used semi-classical approach. This suggests that significantly smaller holes can be used in the design of diffractive masks, provided that fabrication techniques can meet the atomic-level precision to realise such holes. Furthermore, we observe notable differences in diffraction patterns, even for atom velocities that are much greater than the expected convergence threshold between semi-classical and quantum computational models.
Fabricating patterned nanostructures with matter waves can help to realise new nanophotonic devices. However, due to dispersion effects, designing patterns with nanoscale features is challenging. Here, we consider the propagation of a helium matter wave through different holes in hexagonal boron nitride (h-BN) as a case study for the weakest dispersion interaction and the matter wave's diffraction as it passes through the holes. We use a quantum-mechanical model to calculate the polarisability of edge atoms around the holes, where we observe polarisation ripples of enhanced and reduced polarisabilities around the holes. We use these values to calculate van der Waals dispersion coefficients for the scattered helium atoms. We find that the resulting diffraction patterns are affected by the shape and size of the holes, where the smallest holes have a radius of just 6 Å. These results can be used to predict the resolution limits of nano-hole patterns on nanophotonic materials.
Abstract Fast, large area patterning of arbitrary structures down to the nanometre scale is of great interest for a range of applications including the semiconductor industry, quantum electronics, nanophotonics and others. It was recently proposed that nanometre-resolution mask lithography can be realised by sending metastable helium atoms through a binary holography mask consisting of a pattern of holes. However, these first calculations were done using a simple scalar wave approach, which did not consider the dispersion force interaction between the atoms and the mask material. To access the true potential of the idea, it is necessary to access how this interaction affects the atoms. Here we present a theoretical study of the dispersion force interaction between an atom and a dielectric membrane with a hole. We look at metastable and ground state helium, using experimentally realistic wavelengths (0.05–1 nm) and membrane thicknesses (5–50 nm). We find that the effective hole radius is reduced by around 1–7 nm for metastable helium and 0.5–3.5 nm for ground-state helium. As expected, the reduction is largest for thick membranes and slow atoms.
We present a theoretical model of matter-wave diffraction through a material nanostructure. This model is based on the numerical solution of the time-dependent Schr{ö}dinger equation, which goes beyond the standard semi-classical approach. In particular, we consider the dispersion force interaction between the atoms and the material, which is responsible for high energy variations. The effect of such forces on the quantum model is investigated, along with a comparison with the semi-classical model. In particular, for atoms at low velocity and close to the material surface, the semi-classical approach fails, while the quantum model accurately describes the expected diffraction pattern. This description is thus relevant for slow and cold atom experiments where increased precision is required, e.g. for metrological applications.
We present a theoretical model of matter-wave diffraction through a material nanostructure. This model is based on the numerical solution of the time-dependent Schrödinger equation, which goes beyond the standard semiclassical approach. In particular, we consider the dispersion force interaction between the atoms and the material, which is responsible for high energy variations. The effect of such forces on the quantum model is investigated, along with a comparison with the semiclassical model. In particular, for atoms at low velocity and close to the material surface, the semiclassical approach fails, while the quantum model accurately describes the expected diffraction pattern. This description is thus relevant for slow and cold atom experiments where increased precision is required, e.g., for metrological applications. Published by the American Physical Society 2024
The wave nature of matter is a cornerstone of modern physics and has been demonstrated for a wide range of fundamental and composite particles. While diffraction at nanomechanical masks is usually regarded to be independent of internal atomic or molecular states, the particles' polarizabilities and dipole moments lead to dispersive interactions with the grating surface. In prior experiments, such forces largely prevented coherent diffraction of polar molecules as they induce dephasing of the matter wave in the presence of randomly distributed charges inside the grating. Here, we show that surface milling using neon ions facilitates the fabrication of lowly charged nanomasks in gold-capped silicon nitride membranes. This allows us to observe diffraction of polar molecules with over four times larger electric dipole moment than in previous experiments, opening a path towards distinction of structural conformers in matter-wave experiments. Published by the American Physical Society 2024
In atom optics a material structure is commonly regarded as an amplitude mask for atom waves. However, atomic diffraction patterns formed using material gratings indicate that material structures also operate as phase masks. In this study a well collimated beam of sodium atoms is used to illuminate a silicon nitride grating with a period of 100 nm. During passage through the grating slots atoms acquire a phase shift due to the van der Waals interaction with the grating walls. As a result the relative intensities of the matter-wave diffraction peaks deviate from those expected for a purely absorbing grating. Thus a complex transmission function is required to explain the observed diffraction envelopes. An optics perspective to the theory of atomic diffraction from material gratings is put forth in the hopes of providing a more intuitive picture concerning the influence of the vdW potential. The van der Waals coefficient C3=2.7±0.8meVnm3C_{3} = 2.7\pm 0.8{meV nm}^{3}C3​=2.7±0.8meVnm3 is determined by fitting a modified Fresnel optical theory to the experimental data. This value of C3C_{3}C3​ is consistent with a van der Waals interaction between atomic sodium and a silicon nitride surface.