Afiq Radzwan

Afiq Radzwan
Universiti Pendidikan Sultan Idris (UPSI) | upsi · Department of Physics

Doctor of Philosophy (Physics)

About

15
Publications
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53
Citations

Publications

Publications (15)
Article
PbTiO3 has emerged as a promising material for the thermoelectric application. In this study, we proposed to use density functional theory to investigate the underlying mechanism for improving the thermoelectric efficiency of ATiO3. The thermoelectric parameters of the designed surface structures have been obtained by using the Boltzmann transport...
Article
The elastic, thermodynamic and electronic properties of rhombohedra SiFe2O4 spinel-type are investigated using generalized gradient approximation (GGA) and local density approximation (LDA) approach. The results obtained confirmed the failure of bare DFT to produce the fundamental bandgap of strongly correlated systems. By incorporating the Hubbard...
Article
Theoretical calculations of structural, electronic, excitonic and optical properties of N-doped Sb2S3 are studied using highly accurate first-principles approach within many-body perturbation theory (MBPT) formalism. The calculated structural parameters of undoped Sb2S3 within Wu-Cohen’s generalized gradient approximation (WC-GGA) are reasonably cl...
Article
Full-text available
Direct conversion of waste heat to electrical energy could address present energy challenges. Bi2Se 3 is one of few thermoelectric materials known to operate at room temperature. Comprehensive analysis using density functional theory was conducted to explore the effect of nickel doping on structural, electronic, and thermoelectric properties of Bi2...
Article
Full-text available
Good thermoelectric performance is being sought to face major problems related to energy, especially in the concern of the usage of energy on environmental impact. In this work, we investigate the underlying mechanism to enhance the thermoelectric performance of bismuth selenide (Bi2Se3) by employing density functional theory (DFT) followed by the...
Article
Antimony sulphide (Sb2S3) is a potential candidate for alternative material in solar cell application. The structural, electronic, and optical properties of Ni doped Sb2S3 were calculated using full potential linear augmented plane wave (FP-LAPW) based on popular density-functional theory (DFT). The equilibrium lattice parameters have been calculat...
Article
Thermoelectric materials regain attention due to its capability as a solution of the environmental crisis. Bi2Te3 is one of the most efficient thermoelectric materials known that capable to operate at room temperature. A comprehensive analysis was conducted using density functional theory (DFT) that implemented in CASTEP to perform structural optim...
Article
Full-text available
Bi2Se3 is one of the promising materials in thermoelectric devices and very useful out of environmental concern due to its efficiency to perform at room temperature. Based on the first-principles calculation of density functional theory (DFT) by using CASTEP computer code, structural and electronic properties of Bi2Se3 were investigated. The calcul...
Article
Full-text available
Antimony sulfide (Sb2S3) micro thin-film have been received great interest as an absorbing layer for solar cell technology. In this study, to explore its further potential, electronic and optical properties of Sb2S3 simulated nano-thin film are investigated by the first-principles approach. To do so, the highly accurate full-potential linearized au...
Article
We have performed first-principles calculations on orthorhombic antimony sulphide (Sb2S3) nanowire using full-potential linearized augmented plane wave (FP-LAPW) method based on the density-functional theory (DFT) as implemented in WIEN2k package to investigate the electronic and optical properties. Engel–Vosko generalized gradient approximation (E...
Article
The demand for cheaper, nontoxic and earth-abundant materials as absorbing layer for solar cell is immensely needed to replace scarce, toxic and expensive one. In this regard, chalcogenide materials have considerably attracted the attention of a lot of researchers because of showing a great potential for different applications. Stibnite (Sb2S3), a...
Article
Full-text available
The knowledge of the structural and electronic properties of a material is important in various applications such as optoelectronics and thermoelectric devices. In this study, we are using full potential linearized augmented plane wave method framed within density functional theory provided by WIEN2k to optimize the structure of PdSe2 in orthorhomb...
Article
Full-text available
The structural, electronic and optical properties of Sb2S3 have been investigated using full-potential linearized augmented plane wave method within density functional theory (DFT) framework, treating exchange-correlation potential with Engel-Vosko generalized gradient approximation (EV-GGA). Electronic properties calculations were performed with a...

Questions

Questions (7)
Question
I want to build polymer for quantum espresso calculation. Can anyone suggest a suitable open source software to build it.
Question
Can anyone provide me a procedure to build carbon nanotube using open source software

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Projects

Project (1)
Project
To calculate electronic structure and molecular dynamics using quantum espresso software.