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

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

doi:10.1109/SISPAD.2014.6931566

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

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

School of System & Semiconductor Engineering

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

2 Citations (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 language	English
Title of host publication	International Conference on Simulation of Semiconductor Processes and Devices, SISPAD
Publisher	Institute of Electrical and Electronics Engineers Inc.
Pages	73-76
Number of pages	4
ISBN (Electronic)	9781479952885
DOIs	https://doi.org/10.1109/SISPAD.2014.6931566
Publication status	Published - 2014 Oct 20
Event	2014 International Conference on Simulation of Semiconductor Processes and Devices, SISPAD 2014 - Yokohama, Japan Duration: 2014 Sept 9 → 2014 Sept 11

Publication series

Name	International Conference on Simulation of Semiconductor Processes and Devices, SISPAD

Conference

Conference	2014 International Conference on Simulation of Semiconductor Processes and Devices, SISPAD 2014
Country/Territory	Japan
City	Yokohama
Period	14/9/9 → 14/9/11

Bibliographical note

Publisher Copyright:
© 2014 IEEE.

All Science Journal Classification (ASJC) codes

Electrical and Electronic Engineering
Computer Science Applications
Modelling and Simulation

Access to Document

10.1109/SISPAD.2014.6931566

Cite this

Valsaraj, A., Register, L. F., Banerjee, S. K., & Chang, J. (2014). Density-functional-theory-based study of monolayer MoS₂on oxide. In International Conference on Simulation of Semiconductor Processes and Devices, SISPAD (pp. 73-76). Article 6931566 (International Conference on Simulation of Semiconductor Processes and Devices, SISPAD). Institute of Electrical and Electronics Engineers Inc.. https://doi.org/10.1109/SISPAD.2014.6931566

Valsaraj, Amithraj ; Register, Leonard F. ; Banerjee, Sanjay K. et al. / Density-functional-theory-based study of monolayer MoS₂on oxide. International Conference on Simulation of Semiconductor Processes and Devices, SISPAD. Institute of Electrical and Electronics Engineers Inc., 2014. pp. 73-76 (International Conference on Simulation of Semiconductor Processes and Devices, SISPAD).

@inproceedings{f2372d8f8c7a4dc19f49b1f540008f67,

title = "Density-functional-theory-based study of monolayer MoS2on oxide",

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.",

author = "Amithraj Valsaraj and Register, {Leonard F.} and Banerjee, {Sanjay K.} and Jiwon Chang",

note = "Publisher Copyright: {\textcopyright} 2014 IEEE.; 2014 International Conference on Simulation of Semiconductor Processes and Devices, SISPAD 2014 ; Conference date: 09-09-2014 Through 11-09-2014",

year = "2014",

month = oct,

day = "20",

doi = "10.1109/SISPAD.2014.6931566",

language = "English",

series = "International Conference on Simulation of Semiconductor Processes and Devices, SISPAD",

publisher = "Institute of Electrical and Electronics Engineers Inc.",

pages = "73--76",

booktitle = "International Conference on Simulation of Semiconductor Processes and Devices, SISPAD",

address = "United States",

}

Valsaraj, A, Register, LF, Banerjee, SK & Chang, J 2014, Density-functional-theory-based study of monolayer MoS₂on oxide. in International Conference on Simulation of Semiconductor Processes and Devices, SISPAD., 6931566, International Conference on Simulation of Semiconductor Processes and Devices, SISPAD, Institute of Electrical and Electronics Engineers Inc., pp. 73-76, 2014 International Conference on Simulation of Semiconductor Processes and Devices, SISPAD 2014, Yokohama, Japan, 14/9/9. https://doi.org/10.1109/SISPAD.2014.6931566

Density-functional-theory-based study of monolayer MoS₂on oxide. / Valsaraj, Amithraj; Register, Leonard F.; Banerjee, Sanjay K. et al.
International Conference on Simulation of Semiconductor Processes and Devices, SISPAD. Institute of Electrical and Electronics Engineers Inc., 2014. p. 73-76 6931566 (International Conference on Simulation of Semiconductor Processes and Devices, SISPAD).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

TY - GEN

T1 - Density-functional-theory-based study of monolayer MoS2on oxide

AU - Valsaraj, Amithraj

AU - Register, Leonard F.

AU - Banerjee, Sanjay K.

AU - Chang, Jiwon

PY - 2014/10/20

Y1 - 2014/10/20

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=84908662287&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84908662287&partnerID=8YFLogxK

U2 - 10.1109/SISPAD.2014.6931566

DO - 10.1109/SISPAD.2014.6931566

M3 - Conference contribution

AN - SCOPUS:84908662287

T3 - International Conference on Simulation of Semiconductor Processes and Devices, SISPAD

SP - 73

EP - 76

BT - International Conference on Simulation of Semiconductor Processes and Devices, SISPAD

PB - Institute of Electrical and Electronics Engineers Inc.

T2 - 2014 International Conference on Simulation of Semiconductor Processes and Devices, SISPAD 2014

Y2 - 9 September 2014 through 11 September 2014

ER -

Valsaraj A, Register LF, Banerjee SK, Chang J. Density-functional-theory-based study of monolayer MoS₂on oxide. In International Conference on Simulation of Semiconductor Processes and Devices, SISPAD. Institute of Electrical and Electronics Engineers Inc. 2014. p. 73-76. 6931566. (International Conference on Simulation of Semiconductor Processes and Devices, SISPAD). doi: 10.1109/SISPAD.2014.6931566