Abstract
This paper considers approaches to modeling defects in a semiconductor material using computer calculations, in particular, within the framework of applications that implement density functional theory (DFT). An approach is proposed to study the vacancy mechanism of the mobility of dopant atoms based on the dependence of the binding energy on the impurity fraction. The thermodynamic stability of a semiconductor was studied using the cubic phase of silicon carbide 3C-SiC as an example.
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ACKNOWLEDGMENTS
A.V. Gurskaya expresses gratitude to the Ministry of Science and Higher Education for a grant provided by the president of the Russian Federation.
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Gurskaya, A.V., Dolgopolov, M.V., Elisov, M.V. et al. Radiation Defect Formation in a Silicon Carbide Betaconverter. Phys. Part. Nuclei Lett. 20, 1094–1097 (2023). https://doi.org/10.1134/S1547477123050345
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DOI: https://doi.org/10.1134/S1547477123050345