Density-functional-theory-based study of monolayer MoS2on oxide

Amithraj Valsaraj, Leonard F. Register, Sanjay K. Banerjee, Jiwon Chang

Research output: Chapter in Book/Report/Conference proceedingConference contribution

1 Citation (Scopus)

Abstract

Monolayer transition metal dichalcogenides (TMDs) are novel gapped two-dimensional materials with unique electrical and optical properties. Here, we study the effect of dielectric oxide slabs on the electronic structure of monolayer MoS2 using density functional theory (DFT) calculations. We also have simulated the effects of O-vacancies in the first few layers of the oxide on the band structure of the MoS2-oxide system, showing here results for vacancies in topmost/MoS2-adjacent O layer.

Original languageEnglish
Title of host publicationInternational Conference on Simulation of Semiconductor Processes and Devices, SISPAD
PublisherInstitute of Electrical and Electronics Engineers Inc.
Pages73-76
Number of pages4
ISBN (Electronic)9781479952885
DOIs
Publication statusPublished - 2014 Oct 20
Event2014 International Conference on Simulation of Semiconductor Processes and Devices, SISPAD 2014 - Yokohama, Japan
Duration: 2014 Sep 92014 Sep 11

Publication series

NameInternational Conference on Simulation of Semiconductor Processes and Devices, SISPAD

Conference

Conference2014 International Conference on Simulation of Semiconductor Processes and Devices, SISPAD 2014
CountryJapan
CityYokohama
Period14/9/914/9/11

Bibliographical note

Publisher Copyright:
© 2014 IEEE.

All Science Journal Classification (ASJC) codes

  • Electrical and Electronic Engineering
  • Computer Science Applications
  • Modelling and Simulation

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