S.D. Mahanti

Dr. Mahanti's Photo

Department of Physics and Astronomy
Michigan State University
East Lansing, MI 48824-1116


Phone: (517) 484-5633
E-mail: mahanti@pa.msu.edu

Secretary: Ms. Cathy Cords
Phone: (517) 884-5512. Fax: (517) 353-4500.

Research Highlight

Effect of intrasite Coulomb interaction on the properties of pseudo-gap systems containing transition metals, Fe2VAl.

Phys. Rev. B 84, 125104 (2011)
Full Heusler CrystalFe2VAl band structures using different methods Heusler compound Fe2VAl has been studied ab initially using DFT. The effect of intrasite Coulomb interaction is found important. The system is shown as narrow gap semiconductor instead of pseu-do gap system as beleived before.
*(a) GGA (b) GGA+U (c) mBJ (d) PBE0

Gap formation in Cu3SbSe4

Se4 Crystal StructureSe4 Band Structure It is found that the gap formation in Cu3SbSe4 is sensitive to non-local exchange interaction and the structure relaxtion. The gap is found of 0.26 eV using HSE06 in very good agreement with experimental value of the band gap.