TY  - JOUR
AU  - Müller-Caspary, Knut
AU  - Duchamp, Martial
AU  - Rösner, Malte
AU  - Migunov, Vadim
AU  - Winkler, Florian
AU  - Yang, Hao
AU  - Huth, Martin
AU  - Ritz, Robert
AU  - Simson, Martin
AU  - Ihle, Sebastian
AU  - Soltau, Heike
AU  - Wehling, Tim
AU  - Dunin-Borkowski, Rafal
AU  - Van Aert, Sandra
AU  - Rosenauer, Andreas
TI  - Atomic-scale quantification of charge densities in two-dimensional materials
JO  - Physical review / B
VL  - 98
IS  - 12
SN  - 2469-9950
CY  - Woodbury, NY
PB  - Inst.
M1  - FZJ-2018-05697
SP  - 121408
PY  - 2018
AB  - 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.
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000445508200004
DO  - DOI:10.1103/PhysRevB.98.121408
UR  - https://juser.fz-juelich.de/record/852910
ER  -