Origin of the n-type and p-type conductivity of MoS2 monolayers on a SiO2 substrate
Citation:
Dolui, K., Rungger, I., Sanvito, S., Origin of the n-type and p-type conductivity of MoS2 monolayers on a SiO2 substrate, Physical Review B - Condensed Matter and Materials Physics, 87, 16, 2013, art. no. 165402Download Item:
Abstract:
Ab initio
density functional theory calculations are performed to study the electronic properties of a MoS
2
monolayer deposited over a SiO
2
substrate in the presence of interface impurities and defects. When MoS
2
is
placed on a defect-free substrate, the oxide plays an insignificant role since the conduction band top and the
valence band minimum of MoS
2
are located approximately in the middle of the SiO
2
band gap. However, if Na
impurities and O dangling bonds are introduced at the SiO
2
surface, these lead to localized states, which modulate
the conductivity of the MoS
2
monolayer from
n
-to
p
-type. Our results show that the conductive properties of
MoS
2
deposited on SiO
2
are mainly determined by the detailed structure of the MoS
2
/SiO
2
interface, and suggest
that doping the substrate can represent a viable strategy for engineering MoS
2
-based devices
Sponsor
Grant Number
Science Foundation Ireland (SFI)
07/IN.1/I945
Author's Homepage:
http://people.tcd.ie/sanvitosDescription:
PUBLISHED
Author: SANVITO, STEFANO; RUNGGER, IVAN
Type of material:
Journal ArticleCollections
Series/Report no:
Physical Review B - Condensed Matter and Materials Physics87
16
Availability:
Full text availableKeywords:
MoS2DOI:
http://dx.doi.org/10.1103/PhysRevB.87.165402Metadata
Show full item recordLicences: