Resonant and Bound States of Charged Defects in Two-Dimensional Semiconductors

Abstract

A detailed understanding of charged defects in two-dimensional semiconductors is needed for the development of ultrathin electronic devices. Here, we study negatively charged acceptor impurities in monolayer WS${}_2$ using a combination of scanning tunnelling spectroscopy and large-scale atomistic electronic structure calculations. We observe several localized defect states of hydrogenic wave function character in the vicinity of the valence band edge. Some of these defect states are bound, while others are resonant. The resonant states result from the multi-valley valence band structure of WS${}_2$, whereby localized states originating from the secondary valence band maximum at $\Gamma$ hybridize with continuum states from the primary valence band maximum at K/K${}^{\prime }$. Resonant states have important consequences for electron transport as they can trap mobile carriers for several tens of picoseconds.

arXiv comment6 pages, 3 figures

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• The Role of Hydrogen and Oxygen Interstitial Defects in Crystalline Si cells: Mechanism of Device Degradation in Humid Environment