%0 Journal Article
%A Müller-Caspary, Knut
%A Duchamp, Martial
%A Rösner, Malte
%A Migunov, Vadim
%A Winkler, Florian
%A Yang, Hao
%A Huth, Martin
%A Ritz, Robert
%A Simson, Martin
%A Ihle, Sebastian
%A Soltau, Heike
%A Wehling, Tim
%A Dunin-Borkowski, Rafal
%A Van Aert, Sandra
%A Rosenauer, Andreas
%T Atomic-scale quantification of charge densities in two-dimensional materials
%J Physical review / B
%V 98
%N 12
%@ 2469-9950
%C Woodbury, NY
%I Inst.
%M FZJ-2018-05697
%P 121408
%D 2018
%X 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.
%F PUB:(DE-HGF)16
%9 Journal Article
%U <Go to ISI:>//WOS:000445508200004
%R 10.1103/PhysRevB.98.121408
%U https://juser.fz-juelich.de/record/852910