Thermal Expansion of 3C-SiC Obtained from In-Situ X-ray Diffraction at High Temperature and First-Principal Calculations

Sultan, N.M. and Albarody, T.M.B. and Al-Jothery, H.K.M. and Abdullah, M.A. and Mohammed, H.G. and Obodo, K.O. (2022) Thermal Expansion of 3C-SiC Obtained from In-Situ X-ray Diffraction at High Temperature and First-Principal Calculations. Materials, 15 (18). ISSN 19961944

Full text not available from this repository.
Official URL: https://www.scopus.com/inward/record.uri?eid=2-s2....

Abstract

In situ X-ray crystallography powder diffraction studies on beta silicon carbide (3C-SiC) in the temperature range 25�800 °C at the maximum peak (111) are reported. At 25 °C, it was found that the lattice parameter is 4.596 à , and coefficient thermal expansion (CTE) is 2.4 � (Formula presented.) /°C. The coefficient of thermal expansion along a-direction was established to follow a second order polynomial relationship with temperature (Formula presented.)). CASTEP codes were utilized to calculate the phonon frequency of 3C-SiC at various pressures using density function theory. Using the Gruneisen formalism, the computational coefficient of thermal expansion was found to be 2.2 � (Formula presented.) /°C. The novelty of this work lies in the adoption of two-step thermal expansion determination for 3C-SiC using both experimental and computational techniques. © 2022 by the authors.

Item Type: Article
Additional Information: cited By 6
Uncontrolled Keywords: Computation theory; Density functional theory; Silicon carbide; Thermal expansion; X ray crystallography, CASTEP; Coefficient-of-thermal expansion; DFT calculation; Diffraction studies; First-principal calculations; Highest temperature; In-situ X-ray diffraction; Powder diffraction; Thermal expansion isotropy; X- ray diffractions, X ray diffraction
Depositing User: Mr Ahmad Suhairi UTP
Date Deposited: 19 Dec 2023 03:22
Last Modified: 19 Dec 2023 03:22
URI: https://khub.utp.edu.my/scholars/id/eprint/16381

Actions (login required)

View Item
View Item