Character of defect states in vacancy-doped MoTe2 monolayer: Spatial localization, flat bands and hybridization gap
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DOI: 10.1016/j.spmi.2019.04.044
Abstract: Abstract The structural and electronic properties of vacancy-doped 1H and 1T′ MoTe2 monolayers are systematically investigated based on first-principles calculations. Te vacancy is found energetically favored over Mo vacancy for both phases, and Te double… read more here.
Keywords: vacancy doped; defect states; flat bands; vacancy ... See more keywords