42 citations · 147 across the 24 of their papers we have counts for
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Scaling relation for the adsorption energies at bimetallic magnetic surfaces: Role of surface magnetic moment and work-function
Swetarekha Ram, Seung-Cheol Lee, Satadeep Bhattacharjee
The scaling relationships between the adsorption energies of different reaction intermediates have a tremendous effect in the field of surface science, particularly in predicting n…
Gallium-Boron-Phosphide (GaBP): A New III-V Semiconductor for photovoltaics
Upendra Kumar, Sanjay Nayak, Soubhik Chakrabarty +2
Using machine learning (ML) approach, we unearthed a new III-V semiconducting material having an optimal bandgap for high efficient photovoltaics with the chemical composition of G…
AMMCR: Ab-initio model for mobility and conductivity calculation by using Rode Algorithm
Anup Kumar Mandia, Bhaskaran Muralidharan, Jung-Hae Choi +2
We present a module to calculate the mobility and conductivity of semi-conducting materials using Rode's algorithm. This module uses a variety of electronic structure inputs derive…
Inducing half metallicity with alloying in Heusler Compound CoFeMnSb
Upendra Kumar, P. V. Sreenivasa Reddy, Satadeep Bhattacharjee +1
First principles studies were performed in order to find out the possibility of inducing half-metallicity in Heusler Compound CoFeMnSb, by means of alloying it with 3d-transition m…
Cu-substituted Fe2P: An emerging candidates for magnetic RAM application
Enamullah, S. Bhat, Seung-Cheol Lee +1
We propose that Cu-substituted FeP, (FeCu)P (), to be an outstanding contender for the STT-MRAM application. Using first principles based calculatio…