Impact of Doping Concentration on Electronic Properties of Transition Metal-Doped Monolayer Molybdenum Disulfide

Yi Chia Tsai, Yiming Li*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

4 Scopus citations

Abstract

Doping engineering has been an emerging topic in monolayer molybdenum disulfide (mMoS2). However, the dopants used for an n-or p-Type device and the effect of doping level are of great interests toward next-generation electronic devices. In this paper, we theoretically reveal the work function tunability of mMoS2 doped by 3d transition metals. We found that the titanium dopant forms a deep-level trap in the midgap of mMoS2 but turning into n-Type donor levels in high doping concentration due to the stronger covalent bond and the stable surface morphology, which renders it the widest work function tunability among 3d transition metals. Overall, the n-Type behavior is expected by doping with chromium, copper, scandium, and titanium, whereas nickel and zinc dopants lead to the p-Type property. The findings feature the selection of dopants for the revolutionary device and highlight the impact of doping levels from the atomistic viewpoint.

Original languageEnglish
Article number8248623
Pages (from-to)733-738
Number of pages6
JournalIEEE Transactions on Electron Devices
Volume65
Issue number2
DOIs
StatePublished - Feb 2018

Keywords

  • 2-D materials
  • doping
  • electronics structure
  • first-principles calculation
  • molybdenum disulfide

Fingerprint Dive into the research topics of 'Impact of Doping Concentration on Electronic Properties of Transition Metal-Doped Monolayer Molybdenum Disulfide'. Together they form a unique fingerprint.

Cite this