Journal Article FZJ-2018-05697

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Atomic-scale quantification of charge densities in two-dimensional materials

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2018
Inst. Woodbury, NY

Physical review / B 98(12), 121408 () [10.1103/PhysRevB.98.121408]

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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.

Classification:

Contributing Institute(s):
  1. Physik Nanoskaliger Systeme (ER-C-1)
  2. Mikrostrukturforschung (PGI-5)
Research Program(s):
  1. 143 - Controlling Configuration-Based Phenomena (POF3-143) (POF3-143)

Appears in the scientific report 2018
Database coverage:
Medline ; American Physical Society Transfer of Copyright Agreement ; OpenAccess ; Current Contents - Physical, Chemical and Earth Sciences ; Ebsco Academic Search ; IF < 5 ; JCR ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection
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 Record created 2018-10-05, last modified 2024-06-10