Please use this identifier to cite or link to this item: https://hdl.handle.net/10356/89912
Title: Atomic-scale quantification of charge densities in two-dimensional materials
Authors: Müller-Caspary, Knut
Duchamp, Martial
Rösner, Malte
Migunov, Vadim
Winkler, Florian
Yang, Hao
Huth, Martin
Ritz, Robert
Simson, Martin
Ihle, Sebastian
Soltau, Heike
Wehling, Tim
Dunin-Borkowski, Rafal E.
Van Aert, Sandra
Rosenauer, Andreas
Keywords: Transition-metal Dichalcogenide
Monolayer Films
DRNTU::Engineering::Materials
Issue Date: 2018
Source: Müller-Caspary, K., Duchamp, M., Rösner, M., Migunov, V., Winkler, F., Yang, H., . . . Rosenauer, A. (2018). Atomic-scale quantification of charge densities in two-dimensional materials. Physical Review B, 98(12), 121408-. doi:10.1103/PhysRevB.98.121408
Series/Report no.: Physical Review B
Abstract: The charge density is among the most fundamental solid state properties determining bonding, electrical characteristics, and adsorption or catalysis at surfaces. While atomic-scale charge densities have as yet been retrieved by solid state theory, we demonstrate both charge density and electric field mapping across a mono-/bilayer boundary in 2D MoS2 by momentum-resolved scanning transmission electron microscopy. Based on consistency of the four-dimensional experimental data, statistical parameter estimation and dynamical electron scattering simulations using strain-relaxed supercells, we are able to identify an AA-type bilayer stacking and charge depletion at the Mo-terminated layer edge.
URI: https://hdl.handle.net/10356/89912
http://hdl.handle.net/10220/46424
ISSN: 2469-9950
DOI: 10.1103/PhysRevB.98.121408
Schools: School of Materials Science & Engineering 
Rights: © 2018 American Physical Society (APS). This paper was published in Physical Review B and is made available as an electronic reprint (preprint) with permission of American Physical Society (APS). The published version is available at: [http://dx.doi.org/10.1103/PhysRevB.98.121408]. One print or electronic copy may be made for personal use only. Systematic or multiple reproduction, distribution to multiple locations via electronic or other means, duplication of any material in this paper for a fee or for commercial purposes, or modification of the content of the paper is prohibited and is subject to penalties under law.
Fulltext Permission: open
Fulltext Availability: With Fulltext
Appears in Collections:MSE Journal Articles

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