42 citations · 147 across the 24 of their papers we have counts for
4 papers · 1 filter
Uncovering the puzzle of complex magnetism in Fe16N2: a first-principles based study
Satadeep Bhattacharjee, Seung-Cheol Lee
The electronic structure and magnetic exchange interactions in pure and V-doped Fe16N2 are studied within the framework of density functional theory. The Curie temperatures were ob…
Ab-initio semi-classical electronic transport in ZnSe: The role of inelastic scattering mechanisms
Anup Kumar Mandia, Renuka Patnaik, Bhaskaran Muralidharan +2
We present a detailed ab-initio study of semi-classical transport in n-ZnSe using Rode's iterative method. Inclusion of ionized impurity, piezoelectric, acoustic deformation and po…
Role of zero-point effects in stabilizing the ground state structure of bulk Fe2P
Soumya S. Bhat, Kapil Gupta, Satadeep Bhattacharjee +1
Structural stability of Fe2P is investigated in detail using first-principles calculations based on density functional theory. While the orthorhombic C23 phase is found to be energ…
PASTA: Python Algorithms for Searching Transition stAtes
Sudipta Kundu, Satadeep Bhattacharjee, Seung-Cheol Lee +1
Chemical reactions are often associated with an energy barrier along the reaction pathway which hinders the spontaneity of the reaction. Changing the energy barrier along the react…