Fig. 2: Charge transfer upon placing monolayer CrI3 onto monolayer WTe2.
From: A first-principles study of bilayer 1T'-WTe2/CrI3: a candidate topological spin filter
Left: Collinear PBE charge density of monolayer WTe2 in the absence of CrI3 with an isosurface level value of 0.8. Right: Collinear PBE+U charge density difference between the bilayer and individual monolayers, ρBL − ρCrI3 − ρWTe2, with an isosurface level value of 0.0025. Charge transfer from WTe2 to CrI3 is evident. Yellow indicates a positive charge density and light blue indicates a negative charge density. Chromium atoms are colored dark blue and iodine atoms are purple, while tungsten atoms are gray and tellurine atoms are beige.
