Electronic properties of MoS2/h-BN heterostructures: Impact of dopants and impurities

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Details zur Publikation

Autor(en): Gillen R, Robertson J, Maultzsch J
Zeitschrift: physica status solidi (b)
Jahr der Veröffentlichung: 2014
Band: 251
Heftnummer: 12
Seitenbereich: 2620-2625
ISSN: 0370-1972
eISSN: 1521-3951


We report density functional theory calculations of the electronic properties of doped heterostructures of monolayer molybdenum disulphide and hexagonal boron nitride (h-BN). Extending on a recent study, we investigate the effect of doping the h-BN layer on the electronic structure of the MoS2 subsystem by a number of impurites. We consider the intrinsic n-type dopants S and Mo, the p-type dopant Mg, and interstitial K and Mn atoms. Magnesium and molybdenum substitutional impurities induce tails of occupied defect states into the band gap of the compound that reach up to the conduction band minimum of MoS2. This suggests easy charge transfer between the layers in these cases. Additionally, the d-electrons in the studied transition metal impurities induce localized magnetic momenta into the MoS2 subsystem, which might be exploited in spintronics applications. Our results contribute to the understanding of the interaction of MoS2 in vertical heterostructures with nearby impurities and offer insights into possible origins of intrinsic doping of experimental samples of MoS2. (C) 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

FAU-Autoren / FAU-Herausgeber

Gillen, Roland
Lehrstuhl für Experimentalphysik
Maultzsch, Janina Prof. Dr.
Lehrstuhl für Experimentalphysik

Autor(en) der externen Einrichtung(en)
University of Cambridge


Gillen, R., Robertson, J., & Maultzsch, J. (2014). Electronic properties of MoS2/h-BN heterostructures: Impact of dopants and impurities. physica status solidi (b), 251(12), 2620-2625. https://dx.doi.org/10.1002/pssb.201451424

Gillen, Roland, John Robertson, and Janina Maultzsch. "Electronic properties of MoS2/h-BN heterostructures: Impact of dopants and impurities." physica status solidi (b) 251.12 (2014): 2620-2625.


Zuletzt aktualisiert 2018-23-11 um 19:08