Question: is it possible to propose the exect picture of defect dynamics in a material say SiC without considering charge transfer mechanisms during this and only considering the thermodynamics and statistical physics, i mean calculating just atomic new positions. assume i am doing hydrogen ion implantation in 4H SiC semconductor to create some single and bi vaccancy defects. can i expect some oxidation reduction reactions ? or hydrogen gas evolution ? I cant consider charges in my simulation its totally classical.
what are important thermodynamical variables that I can't ignore.
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