Quantitative analysis of X-Ray diffraction spectra for determine structural properties and deformation energy of Al, Cu and Si

Abstract

X-Ray Diffraction (XRD) method was used to analysis structural properties of Al, Si and Cu as cubic crystal system. Existence of Al, Si and Cu was investigated with the joint committee on powder diffraction standards (JCPDS) by 96-901-3104 for Si, 96-431-3215 for Al and 96-901-1605 for Cu respectively. In this paper we determine the concentration of our sample from the 3 or 4 peak area and the intensity of each peak. The content of Al, Si and Cu are 78,97%, 80,69% and 82,51% respectively. Relative texture coefficient (RTC) value investigated from diffraction by using h k l plane. Energy density, stress and strain were calculated using uniform density model (UDM), uniform stress deformation model (USDM), uniform deformation energy density model (UDEDM) and size-strain plot method. For the crystallite size we applied the Scherrer equation, Williamson-Hall (W-H) analysis and Size-Strain plot (SSP) method. High correlations the crystallite size found from the results by Scherrer, W-H, and SSP.

Enhanced Visible-Light Absorption of Fe2O3 Covered by Activated Carbon for Multifunctional Purposes: Tuning the Structural, Electronic, Optical, and Magnetic Properties

“…The models for the quantitative analysis of the XRD pattern for determining the structural properties are used at a high diffraction angle for high-accuracy results, and the size strain plot (SSP) method is applied at a low diffraction angle for better accuracy. 61,65,68 The SSP model is described in detail as 30,32,63,65,69,70…”

“…Figure 4a,b, and Table 2 show that the D from the Scherrer method is smaller than that from the SSP method due to the effect of ε and the distance between the atoms included in the SSP method. 30,32,63 The FTIR spectra were used for determining the refractive index (n), extinction coefficient (k), and dielectric function based on the following equations. First, the pattern was converted from transmittance T(ω) to reflectance R(ω) 71−82…”

“…The XRD diffraction pattern was used to determine the physical quantity, the full width at half-maximum (β hkl ), the wavelength source of the radiation (λ), which in this study was 1.54056 Å for Cu Kα, and the angle (θ) of the diffraction peaks. β hkl was determined from the instrumental broadening (β instrumental ) by using Gaussian correction compared with the data for the standard crystalline Si. ,,− The relation between β hkl , β instrumental , and β measures is represented by β hkl was used as an input parameter to determine the crystallite size using the Scherrer equation as follows The dislocation density calculated from the crystallite size D is presented in Table , and is related to the defects in Fe 2 O 3 –carbon crystal structure, lattice parameter, volume crystal, porosity, and bond length. where V is the volume, u is an internal parameter, and L is the bond length. The porosity is >80% for all composites, indicating the potential for absorbing the electromagnetic waves …”

“…The innovations in multifunctional materials have led to photodegradation of wastewater and EM wave absorption by tuning the electronic (band gap), magnetic, and optical properties to increase the absorption from UV light to visible light. − ,− A semiconductor material has unique properties that make it easy to tune these properties, so it is suitable for electromagnetic wave absorption and photocatalyst applications. − Among the semiconductor materials, one of the binary semiconductors is Fe 2 O 3 , with a band gap of about 2 eV, natural abundance, electrochemical stability, and low toxicity. , The limitations of this material are its poor electrical conductivity and optical properties for absorbing the solar spectrum only for wavelengths >600 nm. By doping with high-band-gap materials, the optical absorption is enhanced in the visible regions .…”

A comparative study of the method of Williamson Hall and the pattern of cadmium oxide nanoparticles for X-rays

“…During forming of thin foil, the micro strains are caused by expansion or compression in the grid to produce a deviation in the grid constant. The expansion of the strain is thus induced by the different displacements of the atoms in respect of their point of reference [39,40]. This strain can be tested using the formula [41].…”