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Effect of Al doping on Band Gap of hexagonal cross section SiNWs
(Universiti Malaysia Perlis, 2014)
In this work band structure of hydrogen-passivated, free-standing silicon nanowires, oriented along [111] direction with hexagonal cross section was studied by using density functional theory using GGA approximation. Effect ...
A comparative study of electronic and thermoelectric properties of bulk, 2D sheet and 1D wire of Silicon: an ab-initio study
(Universiti Malaysia Perlis (UniMAP), 2017)
We have made a comparative study of the electronic and thermoelectric properties of
bulk, 2D-sheet and 1D atomic wire of Silicon, using the Full Potential Linearized
Augmented Plane Wave method (FP-LAPW) within the ...
Electronic and Optical Properties of GaAs Armchair Nanoribbons: DFT Approach
(Universiti Malaysia Perlis (UniMAP), 2018-04)
The electronic and optical properties of N atom‐width (N: 4, 8, 12, 16) armchair GaAs
nanoribbons (NA GaAs NRs) have been studied with hydrogen (H) passivated nanoribbons
using the DFT approach. The H passivated edge of ...
DFT study of thermoelectric performance of SrTiO3 doped by tantalum
(Universiti Malaysia Perlis (UniMAP), 2019-10)
This paper deals with enhancement of thermoelectric performance of SrTiO3 - a perovskite-based material by doping Ti-site with Ta. The electronic and the thermoelectric transport properties of doped SrTiO3 were studied ...
First Principles Enhanced Electronic Band Structure of SrTiO3 using DFT+U Method
(Universiti Malaysia Perlis (UniMAP), 2019-01)
Density functional theory (DFT) technique was used to study the influence of Hubbard U on
the calculated electronic properties of perovskite SrTiO3. We used the Quantum Espresso
(QE) software package with exchange-correction ...