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Updated: Jun 4, 2026

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
Quantitative atom column position analysis at the incommensurate interfaces of a (PbS)(1.14)NbS(2) misfit layered
M Garbrecht1, E Spiecker, K Tillmann
1Microanalysis of Materials, Institute of Materials Science, University of Kiel, 24143 Kiel, Germany. mag@technion.ac.il
Abstract:
Aberration-corrected HRTEM is applied to explore the potential of NCSI contrast imaging to quantitatively analyse the complex atomic structure of misfit layered compounds and their incommensurate interfaces. Using the (PbS)(1.14)NbS(2) misfit layered compound as a model system it is shown that atom column position analyses at the incommensurate interfaces can be performed with precisions reaching a statistical accuracy of ±6pm. The procedure adopted for these studies compares experimental images taken from compound regions free of defects and interface modulations with a structure model derived from XRD experiments and with multi-slice image simulations for the corresponding NCSI contrast conditions used. The high precision achievable in such experiments is confirmed by a detailed quantitative analysis of the atom column positions at the incommensurate interfaces, proving a tetragonal distortion of the monochalcogenide sublattice.

