PROPERTY ENHANCEMENT OF VANADIUM DOPED SILICON CARBIDE: A COMPUTATIONAL STUDY
DOI:
https://doi.org/10.55766/sujst-2023-06-e01715Keywords:
Density Functional Theory, Density of States, DMS; LDA, Silicon Carbide, Vanadium ImpurityAbstract
Dilute magnetic semiconductors (DMS) are those semi-conductor that show magnetic behavior when some impurities are doped in them. The DMS has an application in spintronic devices. Among all the materials for DMS SiC is a promising one as it shows stronger coupling and high Curie temperature so it is very useful for spintronics. One of the important polytypes of SiC is cubic silicon carbide. In this paper, we investigate when one of the TM vanadium (V) when doped with 3C-SiC studied by using the first principle energy code, Quantum Espresso which uses pseudopotential within DFT. Here we observe when V is doped with a Si substation site of 3C SiC then two deep levels will be introduced one is deep donor and another deep acceptor state. When vanadium doped with C substitution site of 3C-SiC half-metallic character introduced. Again here also calculate formation energy for both before and after relaxation. The calculation of formation energy indicates V impurity prefers the Si site to C site in cubic SiC.
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