Ptychography


Ptychography ɪˈkɒgrəfi/ t is a computational microscopy technique that reconstructs the complex-valued image of a specimen from a series of coherent diffraction patterns recorded as a localized probe is scanned with overlap across the sample. It unifies the principles of microscopy and crystallography, combining the real-space imaging of microscopy with the reciprocal-space diffraction analysis of crystallography to produce high-resolution, quantitative images free from lens aberrations. Ptychography has been demonstrated with visible light, X-rays, electrons and extreme-ultraviolet radiation, enabling quantitative phase contrast imaging across nine orders of magnitude in length scales.
Its defining characteristic is translational invariance, which means that the interference patterns are generated by one constant function moving laterally by a known amount with respect to another constant function. The interference patterns occur some distance away from these two components, so that the scattered waves spread out and "fold" into one another as shown in the figure.
Unlike conventional lens imaging, ptychography is unaffected by lens-induced aberrations or diffraction effects caused by limited numerical aperture. This is particularly important for atomic-scale wavelength imaging, where it is difficult and expensive to make good-quality lenses with high numerical aperture. Another advantage is its high phase sensitivity, enabling clear imaging of transparent or weakly absorbing specimens. This is because it is sensitive to the phase of the radiation that has passed through a specimen, and so it does not rely on the object absorbing radiation. In the case of visible-light biological microscopy, this means that cells do not need to be stained or labelled to create contrast.
Modern ptychography, developed in the 2000s and now the most widely used form of the technique, combines scanning microscopy with coherent diffractive imaging through iterative phase-retrieval algorithms. In this approach, a coherent probe—such as an X-ray, electron, or optical beam—is scanned across the specimen with overlapping illumination regions, and an oversampled diffraction pattern is recorded at each position. The overlap between adjacent probe positions in real space and the oversampling of diffraction data in reciprocal space provide sufficient redundancy to enable the simultaneous reconstruction of both the probe and the sample transmission functions. This yields quantitative, aberration-free phase images that are robust to partial coherence and experimental imperfections, while providing both high spatial resolution and a large field of view. Modern ptychography has been demonstrated with X-rays, electrons, and visible light, providing sub-ångström resolution in electron microscopy and quantitative three-dimensional imaging through X-ray ptychotomography.

Phase recovery

Although the interference patterns used in ptychography can only be measured in intensity, the mathematical constraints provided by the translational invariance of the two functions, together with the known shifts between them, means that the phase of the wavefield can be recovered by an inverse computation. Ptychography thus provides a general solution to the "phase problem". By recording more independent intensity measurements than unknown variables, achieved through oversampling in reciprocal space and overlapping in real space, the phase information becomes encoded in the measured diffraction intensities and can be retrieved computationally using iterative algorithms. This formulation has also stimulated substantial research in applied mathematics, particularly on the uniqueness, stability, and convergence properties of phase-retrieval problems.
Once this is achieved, all the information relating to the scattered wave has been recovered, and so virtually perfect images of the object can be obtained. There are various strategies for performing this inverse phase-retrieval calculation, including direct Wigner distribution deconvolution and iterative methods. The difference map algorithm developed by Thibault and co-workers is available in a downloadable package called .

Optical configurations

There are many optical configurations for ptychography: mathematically, it requires two invariant functions that move across one another while an interference pattern generated by the product of the two functions is measured. The interference pattern can be a diffraction pattern, a Fresnel diffraction pattern or, in the case of Fourier ptychography, an image. The "ptycho" convolution in a Fourier ptychographic image derived from the impulse response function of the lens.

The single aperture

This is conceptually the simplest ptychographical arrangement. The detector can either be a long way from the object, or closer by, in the Fresnel regime. An advantage of the Fresnel regime is that there is no longer a very high-intensity beam at the centre of the diffraction pattern, which can otherwise saturate the detector pixels there.

Focused-probe ptychography

A lens is used to form a tight crossover of the illuminating beam at the plane of the specimen. The configuration is used in the scanning transmission electron microscope, and often in high-resolution X-ray ptychography. The specimen is sometimes shifted up or downstream of the probe crossover so as to allow the size of the patch of illumination to be increased, thus requiring fewer diffraction patterns to scan a wide field of view.

Multislice ptychography

Multislice ptychography extends iterative ptychography to account for multiple scattering and three-dimensional structure by modeling the specimen as a sequence of transmission slices along the beam propagation direction. This approach addresses the limitations of the single-slice approximation, which breaks down for thicker samples where electron or X-ray wavefronts undergo significant longitudinal evolution. The conceptual origin for using a single view to recover 3D structural information was demonstrated in ankylography by Miao and
collaborator in 2010, which showed that coherent diffraction patterns oversampled on a curved Ewald sphere can encode depth information without the requirement of tilting or depth scanning. The general computational formulation of multislice ptychography was introduced in 2012 by Maiden, Humphry, and Rodenburg, who developed the multislice iterative engine, incorporating transverse scanning and multislice propagation to reconstruct multiple axial slices from overlapping, oversampled diffraction patterns. Since then, multislice ptychography has been implemented with X-ray, electron, and optical instruments, enabling slice resolved imaging in thick specimens. An important multislice electron ptychography experiment was reported by Chen, Muller, and collaborators in 2021, producing a phase image of a PrScO3 crystal with 0.23 Å resolution.
The achievable depth resolution dz is bounded by
where λ is the wavelength of the illumination, and θ is the maximum scattering angle captured by the detector. The depth resolution is typically much poorer than the lateral resolution, which is the primary current limitation.
Recent applications of multislice ptychography include atomic-scale imaging of oxygen vacancies in zeolites and high temperature superconductors, oxygen anion displacements in 3D in ferroelectrics, interface mapping in van der Waals heterostructures and moiré phasons in 2D materials. Multislice ptychography continues to evolve rapidly.

Near-field ptychography

This uses a wide field of illumination. To provide magnification, a diverging beam is incident on the specimen. An out-of-focus image, which appears as a Fresnel interference pattern, is projected onto the detector. The illumination must have phase distortions in it, often provided by a diffuser that scrambles the phase of the incident wave before it reaches the specimen, otherwise the image remains constant as the specimen is moved, so there is no new ptychographical information from one position to the next. In the electron microscope, a lens can be used to map the magnified Fresnel image onto the detector.

Fourier ptychography

A conventional microscope is used with a relatively small numerical aperture objective lens. The specimen is illuminated from a series of different angles. Parallel beams coming out of the specimen are brought to a focus in the back focal plane of the objective lens, which is therefore a Fraunhofer diffraction pattern of the specimen exit wave. Tilting the illumination has the effect of shifting the diffraction pattern across the objective aperture. Now the standard ptychographical shift invariance principle applies, except that the diffraction pattern is acting as the object and the back focal plane stop is acting like the illumination function in conventional ptychography. The image is in the Fraunhofer diffraction plane of these two functions, just like in conventional ptychography. The only difference is that the method reconstructs the diffraction pattern, which is much wider than the aperture stop limitation. A final Fourier transform must be undertaken to produce the high-resolution image. All the [|reconstruction algorithms] used in conventional ptychography apply to Fourier ptychography, and indeed nearly all the diverse extensions of conventional ptychography have been used in Fourier ptychography.

Imaging ptychography

A lens is used to make a conventional image. An aperture in the image plane acts equivalently to the illumination in conventional ptychography, while the image corresponds to the specimen. The detector lies in the Fraunhofer or Fresnel diffraction plane downstream of the image and aperture.

Bragg ptychography or reflection ptychography

This geometry can be used either to map surface features or to measure strain in crystalline specimens. Shifts in the specimen surface, or the atomic Bragg planes perpendicular to the surface, appear in the phase of the ptychographic image.