@article{scholars16381,
            year = {2022},
         journal = {Materials},
       publisher = {MDPI},
            note = {cited By 6},
          volume = {15},
          number = {18},
             doi = {10.3390/ma15186229},
           title = {Thermal Expansion of 3C-SiC Obtained from In-Situ X-ray Diffraction at High Temperature and First-Principal Calculations},
            issn = {19961944},
          author = {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.},
        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},
             url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85138822505&doi=10.3390\%2fma15186229&partnerID=40&md5=7e2ec561ce33caca549bbc11f376b49a},
        abstract = {In situ X-ray crystallography powder diffraction studies on beta silicon carbide (3C-SiC) in the temperature range 25{\^a}??800 {\^A}oC at the maximum peak (111) are reported. At 25 {\^A}oC, it was found that the lattice parameter is 4.596 {\~A} , and coefficient thermal expansion (CTE) is 2.4 {\~A}? (Formula presented.) /{\^A}oC. 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 {\~A}? (Formula presented.) /{\^A}oC. The novelty of this work lies in the adoption of two-step thermal expansion determination for 3C-SiC using both experimental and computational techniques. {\^A}{\copyright} 2022 by the authors.}
}