• Vipul Srivastava*

Scandium nitride (ScN) has been studied with respect to its electronic band structure using full-potential linear augmented plane wave (FP-LAPW) method under the Local density approximation, generalised gradient approximation (GGA), GGA+U and modified Beckhe Johnson approximation (mBJ) to illustrate band gap in the material. It has been found that ScN was stable in rock-salt structure in non-magnetic phase. We have estimated its lattice parameter and bulk modulus in this structure, which were found in good agreement with the experimental values. ScN has intriguing nature in different approximations, nevertheless experimentally it had semiconducting nature. In this paper by using the mBJ under the Wien2k code, ScN showed semiconducting nature in its electronic band structure.

"A combined LDA, GGA, GGA+U, mBJ study on semiconducting Scandium Nitride ", International Journal of Emerging Technologies and Innovative Research (www.jetir.org), ISSN:2349-5162, Vol.5, Issue 12, page no.61-65, December 2018, Available :http://www.jetir.org/papers/JETIREB06005.pdf

"A combined LDA, GGA, GGA+U, mBJ study on semiconducting Scandium Nitride ", International Journal of Emerging Technologies and Innovative Research (www.jetir.org | UGC and issn Approved), ISSN:2349-5162, Vol.5, Issue 12, page no. pp61-65, December 2018, Available at : http://www.jetir.org/papers/JETIREB06005.pdf