Abdullah Chik
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Preferred name
Abdullah Chik
Official Name
Abdullah, Chik
Alternative Name
Chik, Abdullah
Chik, A
Chik, Abdullah bin
Main Affiliation
Scopus Author ID
15768692100
Researcher ID
EPX-6197-2022

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  • Publication
    Recent advances in density functional theory approach for optoelectronics properties of graphene
    ( 2023)
    A.L. Olatomiwa
    ;
    Tijjani Adam
    ;
    C.O. Edet
    ;
    A.A. Adewale
    ;
    Abdullah Chik
    ;
    Mohammed Mohammed
    ;
    Subash Chandra Bose Gopinath
    ;
    Uda Hashim
    Graphene has received tremendous attention among diverse 2D materials because of its remarkable properties. Its emergence over the last two decades gave a new and distinct dynamic to the study of materials, with several research projects focusing on exploiting its intrinsic properties for optoelectronic devices. This review provides a comprehensive overview of several published articles based on density functional theory and recently introduced machine learning approaches applied to study the electronic and optical properties of graphene. A comprehensive catalogue of the bond lengths, band gaps, and formation energies of various doped graphene systems that determine thermodynamic stability was reported in the literature. In these studies, the peculiarity of the obtained results reported is consequent on the nature and type of the dopants, the choice of the XC functionals, the basis set, and the wrong input parameters. The different density functional theory models, as well as the strengths and uncertainties of the ML potentials employed in the machine learning approach to enhance the prediction models for graphene, were elucidated. Lastly, the thermal properties, modelling of graphene heterostructures, the superconducting behaviour of graphene, and optimization of the DFT models are grey areas that future studies should explore in enhancing its unique potential. Therefore, the identified future trends and knowledge gaps have a prospect in both academia and industry to design future and reliable optoelectronic devices.
  • Publication
    Optoelectronic behavior of ZnS compound and its alloy: A first principle approach
    ( 2021-06-01)
    Akeem Adekunle Adewale
    ;
    Abdullah Chik
    ;
    Tijjani Adam
    ;
    Joshua Tolulope Majekodunmi
    ;
    Durowoju M.O.
    First principles calculations were employed to study the structural, electronic and optical properties of pristine ZnS and its alloy compounds; Zn0.75Cr0.25S, Zn0.75Ti0.25S & Zn0.50Cr0.25Ti0.25S. To investigate these, full potential linear augmented plane wave (FPLAPW) based on density functional theory (DFT) was adopted as implement in WIEN2K code by employing generalized gradient approximation (GGA) of the revised Perdew-Burke Erzenhoff (PBE) as exchange correlation function. Lattice constant, volume, bulk modulus and other physical parameters were calculated for structural properties. Variation in these parameters in crystal structure is related to difference in ionic radius of host and replaced atom. The results of band structure and density of states were determined for electronic properties. The pristine ZnS and Zn0.75Ti0.25S compounds are semiconductor in nature while Zn0.75Cr0.25S and Zn0.50Cr0.25Ti0.25S displayed metallic character. Optical parameters including absorption coefficient, energy loss function, complex refractive index; refractive index and extinction coefficient, and optical conductivity have been computed from the dielectric function at energy range of 0–25 eV. Static dielectric constant for ε1(ω) are found to be 6.61, 1811.89, 155.46 and 1446.14 in ZnS, Zn0.75Cr0.25S, Zn0.75Ti0.25S and Zn0.50Cr0.25Ti0.25S respectively. The mean peaks of absorption are found at energy range of ∼5–10.5 eV for all studied compounds. We obtained noble performance of optical conductivity of doped at 0–7 eV which is due to presence of 3d – orbitals in the doped compounds. Our results are compared with available theoretical calculations and the experimental data.
  • Publication
    Recent advances in density functional theory approach for optoelectronics properties of graphene
    ( 2023-03-01)
    Olatomiwa A.L.
    ;
    Tijjani Adam
    ;
    Edet C.O.
    ;
    Adewale A.A.
    ;
    Abdullah Chik
    ;
    Mohammed M.
    ;
    Subash Chandra Bose Gopinath
    ;
    Uda Hashim
    Graphene has received tremendous attention among diverse 2D materials because of its remarkable properties. Its emergence over the last two decades gave a new and distinct dynamic to the study of materials, with several research projects focusing on exploiting its intrinsic properties for optoelectronic devices. This review provides a comprehensive overview of several published articles based on density functional theory and recently introduced machine learning approaches applied to study the electronic and optical properties of graphene. A comprehensive catalogue of the bond lengths, band gaps, and formation energies of various doped graphene systems that determine thermodynamic stability was reported in the literature. In these studies, the peculiarity of the obtained results reported is consequent on the nature and type of the dopants, the choice of the XC functionals, the basis set, and the wrong input parameters. The different density functional theory models, as well as the strengths and uncertainties of the ML potentials employed in the machine learning approach to enhance the prediction models for graphene, were elucidated. Lastly, the thermal properties, modelling of graphene heterostructures, the superconducting behaviour of graphene, and optimization of the DFT models are grey areas that future studies should explore in enhancing its unique potential. Therefore, the identified future trends and knowledge gaps have a prospect in both academia and industry to design future and reliable optoelectronic devices.
  • Publication
    Revisiting the Optoelectronic Properties of Graphene: A DFT Approach
    ( 2024-01-01)
    Agbolade L.O.
    ;
    Dafhalla A.K.Y.
    ;
    Al-Mufti A.W.
    ;
    Arsat Z.A.
    ;
    Tijjani Adam
    ;
    Abdullah Chik
    ;
    Subash Chandra Bose Gopinath
    ;
    Muhammad Nur Aiman Uda
    ;
    Afnan Uda M.N.
    ;
    Uda Hashim
    Understanding the atomic behaviour of pure graphene is crucial in manipulating its properties for achieving optoelectronics with high absorption indexes and efficiencies. However, previous research employing the DFT approach emphasised its zero-band gap nature, not its unique optical properties. Therefore, this study employed ab initio calculations to revisit the electronic, magnetic, and optical properties of pristine graphene using the WIEN2K code. The results reveal that the PBE-GGA valence and conduction bands cross at-0.7 eV. Our calculations demonstrated that the absorption coefficient of graphene has the strongest light penetration in the parallel direction. Furthermore, our results not only present the best possible propagation of light in pure graphene but also reveal that the linear relationship between the formation of the free electron carriers and the energy absorption is responsible for the high optical conductivity observed in pure graphene, as indicated by the peaks. Lastly, the metallic properties of graphene are reflected by the variation in spin up and down that appears, as evidenced by the total and partial densities of states, and the large refractive index attributed to its high electron mobility confirms its metallic nature.
  • Publication
    First principles calculations of structural, electronic, mechanical and thermoelectric properties of cubic ATiO3 (A= Be, Mg, Ca, Sr and Ba) perovskite oxide
    ( 2021-09-01)
    Adewale A.A.
    ;
    Abdullah Chik
    ;
    Tijjani Adam
    ;
    Yusuff O.K.
    ;
    Ayinde S.A.
    ;
    Sanusi Y.K.
    First principle calculation was performed to investigate material properties such as structural, electronic, mechanical and thermoelectric of ATiO3 (Be, Mg, Ca, Sr or Ba) a perovskite based oxide within density functional theory. Calculations were performed using PBEsol exchange correlation functional within generalized gradient approximation (GGA). Structural and electronic properties were elaborated since their effect gives information about the thermoelectric performance. The underestimate of band gap from DFT calculation were corrected by using DFT with Modified Becke and Johnson (mBJ). It was observed that compound with small band gap have higher electrical conductivity and at the same time, high performance of thermoelectric power factors. BeTiO3 was found to possess very low power factor due to its low value of Seebeck coefficient and electrical conductivity. Highest thermoelectric power factor was obtained in BaTiO3 at 1200 K. Elastic constant were used to explain the mechanical properties such as anisotropic, brittle characteristics, stiffness and many others.
  • Publication
    Revisiting the optoelectronic properties of graphene : a DFT approach
    ( 2024-01)
    L.O Agbolade
    ;
    Alaa Kamal Yousif Dafhalla
    ;
    A.Wesam Al-Mufti
    ;
    Zainal Abidin Arsat
    ;
    Tijjani Adam
    ;
    Abdullah Chik
    ;
    Subash Chandra Bose Gopinath
    ;
    Muhammad Nur Aiman Uda
    ;
    Uda Hashim
    Understanding the atomic behaviour of pure graphene is crucial in manipulating its properties for achieving optoelectronics with high absorption indexes and efficiencies. However, previous research employing the DFT approach emphasised its zero-band gap nature, not its unique optical properties. Therefore, this study employed ab initio calculations to revisit the electronic, magnetic, and optical properties of pristine graphene using the WIEN2K code. The results reveal that the PBE-GGA valence and conduction bands cross at -0.7 eV. Our calculations demonstrated that the absorption coefficient of graphene has the strongest light penetration in the parallel direction. Furthermore, our results not only present the best possible propagation of light in pure graphene but also reveal that the linear relationship between the formation of the free electron carriers and the energy absorption is responsible for the high optical conductivity observed in pure graphene, as indicated by the peaks. Lastly, the metallic properties of graphene are reflected by the variation in spin up and down that appears, as evidenced by the total and partial densities of states, and the large refractive index attributed to its high electron mobility confirms its metallic nature.
  • Publication
    A DFT study of the optoelectronic properties of B and Be-doped Graphene
    ( 2024-02-01)
    Agbolade L.O.
    ;
    Dafhalla A.K.Y.
    ;
    Zayan D.M.I.
    ;
    Tijjani Adam
    ;
    Abdullah Chik
    ;
    Adewale A.A.
    ;
    Subash Chandra Bose Gopinath
    ;
    Uda Hashim
    The electronic and optical properties of Boron (B) and Beryllium (Be)-doped graphene were determined using the ab initio approach based on the generalized gradient approximations within the Full potential linearized Augmented Plane wave formalism (FP-LAPW). Our findings demonstrated that doping at the edges of graphene is notably stable. In both systems, Be- doped graphene proves more efficient in manipulating the band gap of graphene. Both B and Be, induce P-type doping in graphene. B-doped graphene exhibits a negligible magnetic moment of 0.000742, suggesting its suitability for catalytic semiconductor devices. Conversely, Be-doped graphene displays a large magnetic moment of 1.045 μB, indicating its potential in spintronics. Additionally, this study elucidates the influence of the dopant atoms on the optical properties of graphene. These findings underscore a stable and controllable method for modelling graphene at its edges with B and Be atoms, opening new avenues in the design of these devices.