Browsing by Subject "Structural properties"
Now showing items 1-15 of 15
-
Benefits of molybdenum substitution in Na3V2(PO4)3 cathode material for sodium ion batteries: A first principles study
(Universiti Malaysia Perlis (UniMAP), 2020-12)The first principles study on the structural and electronic properties of Na3V2(PO4)3 (NVP) was performed using first principles calculation. Results on lattice constant, Mulliken analysis and density of state are discussed ... -
Comparative study on the degradation effects initiated by gamma ray and electron beam irradiation in polypropylene
(Universiti Malaysia Perlis (UniMAP), 2012-06-18)The aim of this paper is to investigate the potential effects of gamma ray and electron beam irradiation, ranging between 25 and 200 kGy on unstabilised Polypropylene (PP). The PP samples were subjected to a range of ... -
The effect of chalcogen atom on the structural, elastic, and high-pressure properties of XY compounds (X=La, Ce, Eu, and Y=S, Se, and Te): An ab initio study
(WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim., 2012-01)The B1 (NaCl) and B2 (CsCl) structure of rare-earth monochalcogenides XY (X=La, Ce, Eu, and Y=S, Se, and Te) were investigated with the full-potential linearized-augmented plane wave (FP-LAPW) scheme in the frame of the ... -
Electronic band structure and optical properties of titanium oxyphosphates Li0.50Co0.25TiO(PO4) single crystals: An ab-initio calculations
(Elsevier Inc., 2011-08)From the refined atomic positions obtained by Belmal et al. (2004) using X-ray diffraction for Li0.50Co0.25TiO(PO4), we have performed a structural optimization by minimizing the forces acting on the atoms keeping the ... -
Electronic structure and magneto-optic Kerr effect in ferromagnetic titanium oxyphosphates Li 0.50Co 0.25TiO(PO4): An ab-initio study
(Elsevier Ltd., 2012-06)The X-ray diffraction for Li 0.50Co 0.25TiO(PO 4), was used as a starting point to perform structural optimization by minimizing the forces acting on the atoms. We have performed a comprehensive theoretical study of ... -
External temperature and pressure effects on thermodynamic properties and mechanical stability of yttrium chalcogenides YX(X=S, Se and Te)
(Elsevier B.V., 2013)The full potential linearized augmented plane wave method within the framework of density functional theory is employed to investigate the structural, thermodynamic and elastic properties of the yttrium chalcogenides (YX: ... -
Optical investigations of GaN deposited nano films using pulsed laser ablation in ethanol
(Universiti Malaysia Perlis (UniMAP), 2022-04)We provide an optical study on GaN thin film testing created by pulsed laser (ablation) in liquid. This study applied six different energies for ablated GaN nanoparticles in the liquid. According to the XRD test, the ... -
Structural and morphological properties of Cu1-xAlxO nanostructures prepared by sol-gel method
(Universiti Malaysia Perlis (UniMAP), 2020-07)In this study, the sol-gel process has been adopted for the synthesis of Cu1-xAlxO nanostructures (0≤ x ≤ 0.90, in steps of 0.10). The system revealed pure CuO phase with monoclinic structure. Al2O3 phase and copper oxide ... -
Structural and optical investigations of cadmium sulfide nanostructures for optoelectronic applications
(Elsevier Ltd., 2012-11)Cadmium sulfide (CdS) nanostructures were deposited on glass substrates by sol–gel spin coating technique. X-Ray Diffraction (XRD) results have indicated that the formation of CdS has hexagonal structure. The lattice constants ... -
Structural and optoelectronic properties of NiTiX and CoVX (X = Sb and Sn) half-Heusler compounds: An ab initio study
(Elsevier GmbH., 2013-04)We have performed ab-initio self-consistent calculations using the full-potential linear muffin-tin orbital (FP-LMTO) method to investigate the structural and the electronic properties of some half-Heusler alloys. The local ... -
Structural properties of PbI₂ thin film
(Trans Tech Publications, 2014-01)Lead iodide (PbI₂) thin films were successfully prepared by thermal evaporation method on a glass substrate at room temperature. The structural analysis of these films was done by XRD. The results revealed that the crystallite ... -
Structural properties of Sb- and Te-based binary compounds: Spin-orbit effect
(Versita Warsaw and Springer-Verlag Wien, 2013-01)The band structure of AlSb, GaSb, ZnTe and CdTe is calculated using the empirical pseudopotential method (EPM) coupled with spin-orbit (SO) splitting. We applied our empirical model of bulk modulus with SO effect. It has ... -
Structural Properties of Zn-PbI₂ Nanostructures
(Trans Tech Publications Inc., 2014-04)The structural properties of Zn-doped and undoped lead iodide ( PbI2 ) nanostructures have been investigated. Zn-doped and undoped of ( PbI2 ) have been grown by chemical technique. Different doped and undoped PbI2 when ... -
The structural, electronic and mechanical properties of 𝜶�� and 𝜷�� phases in titanium using density functional theory
(Universiti Malaysia Perlis (UniMAP), 2020-12)In this paper, the structural, electronic and mechanical properties of 𝛼 and 𝛽 phases in titanium (Ti) with the space group of P63/mmc and Im3m were computed by using first-principles calculations through density functional ... -
Study of titanium dioxide thin film by sol-gel method
(Trans Tech Publications Inc., 2014-04)Titanium dioxide (TiO2) thin films based interdigitated electrodes (IDEs) have been synthesized using sol-gel method with hydrochloric acid (HCl) as catalyst. The prepared TiO2 solution has been deposited onto silicon ...