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Title: Strain and electric field induced electronic properties of two-dimensional hybrid bilayers of transition-metal dichalcogenides

Abstract

Tunability of the electronic properties of two-dimensional bilayer hetero structures of transition-metal dichalcogenides (i.e., MX{sub 2}-M′X′{sub 2} with (M, M′ = Mo, W; X, X′ = S, Se) is investigated. Application of both strain and electric field is found to modify the band gap and carrier effective mass in the hybrid bilayers considered. The calculated results based on density functional theory suggest that the tensile strain considerably changes the band gap of semiconducting bilayers; it makes the band gap to be indirect, and later initiates the semiconductor-to-metal transition. Application of the external electric fields, on the other hand, shows asymmetric variation in the band gap leading to the closure of the gap at about 0.5–1.0 V/Å. Tuning of the band gap and carrier effective mass in such a controlled manner makes the hybrid bilayers of transition metal dichalcogenides to be promising candidates for application in electronic devices at nanoscale.

Authors:
; ;  [1];  [2]
  1. Department of Physics, Himachal Pradesh University, Shimla 171005 (India)
  2. Department of Physics, Michigan Technological University, Houghton, Michigan 49931 (United States)
Publication Date:
OSTI Identifier:
22314607
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 116; Journal Issue: 6; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; CARRIERS; DENSITY FUNCTIONAL METHOD; EFFECTIVE MASS; ELECTRIC FIELDS; ELECTRONIC EQUIPMENT; LAYERS; NANOSTRUCTURES; SEMICONDUCTOR MATERIALS; STRAINS; TRANSITION ELEMENTS; TUNING

Citation Formats

Sharma, Munish, E-mail: munishsharmahpu@live.com, E-mail: pk-ahluwalia7@yahoo.com, Kumar, Ashok, Ahluwalia, P. K., E-mail: munishsharmahpu@live.com, E-mail: pk-ahluwalia7@yahoo.com, and Pandey, Ravindra. Strain and electric field induced electronic properties of two-dimensional hybrid bilayers of transition-metal dichalcogenides. United States: N. p., 2014. Web. doi:10.1063/1.4892798.
Sharma, Munish, E-mail: munishsharmahpu@live.com, E-mail: pk-ahluwalia7@yahoo.com, Kumar, Ashok, Ahluwalia, P. K., E-mail: munishsharmahpu@live.com, E-mail: pk-ahluwalia7@yahoo.com, & Pandey, Ravindra. Strain and electric field induced electronic properties of two-dimensional hybrid bilayers of transition-metal dichalcogenides. United States. doi:10.1063/1.4892798.
Sharma, Munish, E-mail: munishsharmahpu@live.com, E-mail: pk-ahluwalia7@yahoo.com, Kumar, Ashok, Ahluwalia, P. K., E-mail: munishsharmahpu@live.com, E-mail: pk-ahluwalia7@yahoo.com, and Pandey, Ravindra. Thu . "Strain and electric field induced electronic properties of two-dimensional hybrid bilayers of transition-metal dichalcogenides". United States. doi:10.1063/1.4892798.
@article{osti_22314607,
title = {Strain and electric field induced electronic properties of two-dimensional hybrid bilayers of transition-metal dichalcogenides},
author = {Sharma, Munish, E-mail: munishsharmahpu@live.com, E-mail: pk-ahluwalia7@yahoo.com and Kumar, Ashok and Ahluwalia, P. K., E-mail: munishsharmahpu@live.com, E-mail: pk-ahluwalia7@yahoo.com and Pandey, Ravindra},
abstractNote = {Tunability of the electronic properties of two-dimensional bilayer hetero structures of transition-metal dichalcogenides (i.e., MX{sub 2}-M′X′{sub 2} with (M, M′ = Mo, W; X, X′ = S, Se) is investigated. Application of both strain and electric field is found to modify the band gap and carrier effective mass in the hybrid bilayers considered. The calculated results based on density functional theory suggest that the tensile strain considerably changes the band gap of semiconducting bilayers; it makes the band gap to be indirect, and later initiates the semiconductor-to-metal transition. Application of the external electric fields, on the other hand, shows asymmetric variation in the band gap leading to the closure of the gap at about 0.5–1.0 V/Å. Tuning of the band gap and carrier effective mass in such a controlled manner makes the hybrid bilayers of transition metal dichalcogenides to be promising candidates for application in electronic devices at nanoscale.},
doi = {10.1063/1.4892798},
journal = {Journal of Applied Physics},
number = 6,
volume = 116,
place = {United States},
year = {Thu Aug 14 00:00:00 EDT 2014},
month = {Thu Aug 14 00:00:00 EDT 2014}
}