Chuong V. Nguyen

Tuning the electronic properties of armchair graphene nanoribbons by strain engineering

Atomic and electronic properties of armchair graphene nanoribbons under uni-axial strain are studied by ab initio calculations. Calculations for 5-, 6- and 7-armchair graphene nanoribbons show that at the equilibrium state, the difference in bond lengths in each ribbon is about 0.65 nm. The total energy of AGNRs depends on the strain direction (namely, armchair or zigzag) and is inversely proportional to the nanoribbon width. When the uni-axial strain along armchair or zigzag directions is individually applied, the change in the ribbon band gap can be described as a zigzag pattern with the appearance of the semiconductor–metal–semiconductor phase transition. As a result, deformed AGNRs are becoming a promising material for applications in nanoelectromechanical devices.

Band gap and electronic properties of molybdenum disulphide under strain engineering: density functional theory calculations

In this paper, we study the effect of uniaxial and biaxial strain on the structural and electronic properties of MoS monolayers by first-principle calculations based on density functional theory. Our calculations show that the bond length between Mo and S atoms depends linearly on the strain. At the equilibrium state, MoS has a direct band gap of 1.72 eV opening at the K-point. However, an indirect–direct band gap transition has been found in MoS monolayer when the strain is introduced. MoS becomes a semiconductor with an indirect band gap when the uniaxial strain or the biaxial strain . Under biaxial strain, a metal–semiconductor transition occurs at of elongation. The indirect character and phase transition will largely constrain application of MoS monolayer to electronic and optical devices.

Tuning the Electronic Properties, Effective Mass and Carrier Mobility of MoS2 Monolayer by Strain Engineering: First-Principle Calculations

In this paper, we studied the electronic properties, effective masses, and carrier mobility of monolayer

Fundamental exciton transitions in SiO2/Si/SiO2 cylindrical core/shell quantum dot

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Electronic properties of GaSe/MoS2 and GaS/MoSe2 heterojunctions from first principles calculations

MoS2 using density functional theory calculations. The carrier mobility was considered by means of ab initio calculations using the Boltzmann transport equation coupled with deformation potential theory. The effects of mechanical biaxial strain on the electronic properties, effective mass, and carrier mobility of monolayer

Out-of-plane strain and electric field tunable electronic properties and Schottky contact of graphene/antimonene heterostructure

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