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Title: Strain-engineered band parameters of graphene-like SiC monolayer

Using full-potential density functional theory (DFT) calculations we show that the band gap and effective masses of charge carriers in SiC monolayer (ML-SiC) in graphene-like two-dimensional honeycomb structure are tunable by strain engineering. ML-SiC was found to preserve its flat 2D graphene-like structure under compressive strain up to 7%. A transition from indirect-to-direct gap-phase is predicted to occur for a strain value lying within the interval (1.11 %, 1.76%). In both gap-phases band gap decreases with increasing strain, although the rate of decrease is different in the two gap-phases. Effective mass of electrons show a non-linearly decreasing trend with increasing tensile strain in the direct gap-phase. The strain-sensitive properties of ML-SiC, may find applications in future strain-sensors, nanoelectromechanical systems (NEMS) and nano-optomechanical systems (NOMS) and other nano-devices.
Authors:
 [1] ;  [2]
  1. School of Technology, The Glocal University, Mirzapur Pole, Dist.-Saharanpur, U.P.-247001, India and Department of Physics, Indian Institute of Technology Bombay, Powai, Mumbai-400076 (India)
  2. Department of Physics, Indian Institute of Technology Bombay, Powai, Mumbai-400076 (India)
Publication Date:
OSTI Identifier:
22307953
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1618; Journal Issue: 1; Conference: ICCMSE 2014: International conference on computational methods in science and engineering 2014, Athens (Greece), 4-7 Apr 2014; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; CHARGE CARRIERS; DENSITY FUNCTIONAL METHOD; EFFECTIVE MASS; ELECTRONS; ENERGY GAP; GRAPHENE; NANOSTRUCTURES; NONLINEAR PROBLEMS; POTENTIALS; SENSORS; SILICON CARBIDES; STRAINS; TWO-DIMENSIONAL CALCULATIONS