Ab-initio calculations for electronic and optical properties of Er$_{\rm W}$ defects in tungsten disulfide
M. A. Khan,
Michael N. Leuenberger
Abstract:Ab-initio calculations for the electronic and optical properties of single-layer (SL) tungsten disulfide (WS 2 ) in the presence of substitutional Erbium defects (Er W ) are presented, where the W atom is replaced by an Er atom. Defects usually play an important role in tailoring electronic and optical properties of semiconductors. We show that neutral Er defects lead to localized defect states (LDS) in the band structure due to the forbital states of Er, which in turn give rise to sharp transitions in in-plan… Show more
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