Origin of atomic displacement in HAADF image of the tilted specimen

Cui, Jia; Yao, Yuan; Wang, Y.G.; Shen, Xi; Yu, Richeng

doi:10.1016/j.ultramic.2017.07.007

Cited by 11 publications

(9 citation statements)

References 19 publications

(28 reference statements)

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“…In the upper domains, despite the Pb-displacement vectors are basically antiparallel in adjacent stripes, those in the wider stripes (blue) have larger magnitudes than the ones in the narrower stripes (yellow), as shown in We conducted HAADF-STEM image simulations under our experimental conditions. The results confirmed that the observed Pb-displacements reflect the real atomic configuration of dipoles rather than artifacts from the optical system, sample thickness and/or crystal tilts [28,29] (see Table S1 and Fig. S2 in Supplemental Material [20]).…”

supporting

confidence: 70%

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Uncompensated Polarization in Incommensurate Modulations of Perovskite Antiferroelectrics

Fan

et al. 2019

Phys. Rev. Lett.

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Complex polar structures of incommensurate modulations (ICMs) are revealed in chemically modified PbZrO3 perovskite antiferroelectrics using advanced transmission electron microscopy techniques. The Pb-cation displacements, previously assumed to arrange in a fully-compensated antiparallel fashion, are found to be either antiparallel but with different magnitudes, or in a nearly orthogonal arrangement in adjacent stripes in the ICMs. Ab initio calculations corroborate the low-energy state of these arrangements. Our discovery corrects the atomic understanding of ICMs in PbZrO3-based perovskite antiferroelectrics.

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supporting

confidence: 70%

“…The results confirmed that the observed Pb-displacements reflect the real atomic configuration of dipoles rather than artifacts from the optical system, sample thickness and/or crystal tilts [28,29] (see Table S1 and Fig. S2 in Supplemental Material [20]).…”

supporting

confidence: 70%

Uncompensated Polarization in Incommensurate Modulations of Perovskite Antiferroelectrics

Fan

et al. 2019

Phys. Rev. Lett.

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“…A total of 720x720 probe positions were computed and the final images are an average over 32 frozen phonon configurations. Separate PRISM simulations were performed with interpolation factors 4, 8, and 16. tomographic reconstruction, but the measured intensity has some non-linear dependence on the atomic potentials, due to effects such as exponential decrease of electrons in the unscattered STEM probe, channeling effects along atomic columns, coherent diffraction at low scattering angles and other related effects [11, [49][50][51][52][53][54]. These effects can be seen in the differences between the images shown in Figs.…”

Section: Application To Atomic Electron Tomographymentioning

confidence: 99%

A streaming multi-GPU implementation of image simulation algorithms for scanning transmission electron microscopy

Pryor

Ophus

Miao

2017

Adv Struct Chem Imag

103

100

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Simulation of atomic-resolution image formation in scanning transmission electron microscopy can require significant computation times using traditional methods. A recently developed method, termed plane-wave reciprocal-space interpolated scattering matrix (PRISM), demonstrates potential for significant acceleration of such simulations with negligible loss of accuracy. Here, we present a software package called Prismatic for parallelized simulation of image formation in scanning transmission electron microscopy (STEM) using both the PRISM and multislice methods. By distributing the workload between multiple CUDA-enabled GPUs and multicore processors, accelerations as high as 1000 × for PRISM and 15 × for multislice are achieved relative to traditional multislice implementations using a single 4-GPU machine. We demonstrate a potentially important application of Prismatic, using it to compute images for atomic electron tomography at sufficient speeds to include in the reconstruction pipeline. Prismatic is freely available both as an open-source CUDA/C++ package with a graphical user interface and as a Python package, PyPrismatic.

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“…Single-crystal X-ray diffraction studies indicate that the positions of tetrahedral oxygens are displaced among polytypes by up to ~0.2 Å due to intersheet strain and interlayer hydrogen bonding (Brigatti and Guggenheim 2002;Brigatti et al 2011). Given the theoretical resolution of HAADF-STEM (Cui et al 2017) it may seem possible to detect this by imaging oxygen columns along [100]. However, this was not possible, likely due to electron-irradiation damage.…”

Section: Discussionmentioning

confidence: 99%

Polytypism in semi-disordered lizardite and amesite by low-dose HAADF-STEM

Zhang

Zarzycki

Gilbert

et al. 2022

American Mineralogist

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Serpentine minerals exert important controls on the physical properties of ultramafic rocks and have the potential to influence deformation phenomena in fault zones and to control the release of water in subducted slabs. Sheet serpentine generally, and lizardite and amesite specifically, can adopt alternative crystallographic stacking arrangements called polytypes. Polytypism has been extensively studied in fully ordered crystals, but it remains largely enigmatic in the more common semi-disordered crystals that in long-range analyses such as X-ray diffraction only exhibit random combinations of 0b and ±1/3b interlayer shifts. To date, atomic-resolution imaging to identify locally ordered polytypes has been precluded by the beam-sensitive nature of this hydrous magnesium silicate mineral. Here, we employed low-dose high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) to study the polytypic structure of semi-

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Origin of atomic displacement in HAADF image of the tilted specimen

Cited by 11 publications

References 19 publications

Uncompensated Polarization in Incommensurate Modulations of Perovskite Antiferroelectrics

Uncompensated Polarization in Incommensurate Modulations of Perovskite Antiferroelectrics

A streaming multi-GPU implementation of image simulation algorithms for scanning transmission electron microscopy

Polytypism in semi-disordered lizardite and amesite by low-dose HAADF-STEM

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