Dibya Prakash Rai

Studied the electronic and magnetic properties of transition metal based Heusler compounds by using the density functional theory (DFT). A DFT relies upon the Kohn-Sham (KS) equation with inclusion of exchange-correlation potential to improve the accuracy. The more relevant method LSDA+U (Coulomb repulsion) formalism is used to treat the strongly correlated electrons for better accuracy of the ground state properties.