PROPERTY ENHANCEMENT OF VANADIUM DOPED SILICON CARBIDE: A COMPUTATIONAL STUDY

Dilute magnetic semiconductors (DMS) are those semiconductors that show magnetic behaviour when some impurities are doped in them. The DMS has found applications in spintronic devices. Among all the materials for DMS, Silicon Carbide (SiC) is a promising one as it shows stronger coupling and high Curie temperature. One of the important polytypes of SiC is cubic silicon carbide. This work investigates the transition metal, vanadium (V) doped 3C-SiC by using the first -principle energy code, Quantum Espresso, which uses pseudopotential within density functional theory (DFT). Here, it is observed that when V is doped with a Si site substitution of 3C SiC, then two deep levels will be introduced, out of which one is a deep donor and another deep acceptor state. When vanadium is doped with C site substitution of 3C-SiC, the half -metallic character is introduced. Again, formation energy for both before and after relaxation is also calculated. The calculation of formation energy indicates V impurity prefers the Si site to C site in cubic SiC.