206 citations · 819 across the 79 of their papers we have counts for
9 papers · 2 filters
Computational design of novel MAX phase alloys for potential hydrogen storage media combining first principles and cluster expansion methods
Pritam Das, Krishnamohan Thekkepat, Young-Su Lee +2
Finding a suitable material for hydrogen storage at ambient atmospheric conditions is challenging for material scientists and chemists. In this work, using a first principles based…
Can magneto-transport properties provide insight into the functional groups in semiconducting MXenes?
Namitha Anna Koshi, Anup Kumar Mandia, Bhaskaran Muralidharan +2
The Hall scattering factor of Sc2CF2, Sc2CO2 and Sc2C(OH)2 is calculated using Rode's iterative approach by solving the Boltzmann transport equation. This is carried out in conjunc…
Anti-site disorder and Berry curvature driven anomalous Hall effect in spin gapless semiconducting Mn2CoAl Heusler compound
Nisha Shahi, Ajit K. Jena, Gaurav K. Shukla +9
Spin gapless semiconductors exhibit a finite band gap for one spin channel and closed gap for other spin channel, emerged as a new state of magnetic materials with a great potentia…
A new palladium alloy with near-ideal hydrogen storage performance
Pritam Das, Young-Su Lee, Seung-Cheol Lee +1
Hydrogen-based fuels demand high-density storage that can operate under ambient temperatures. Pd and its alloys are the most investigated metal hydrides for hydrogen fuel cell appl…
Surface-oxygen-passivation driven large anomalous Hall conductivity (AHC) in nitride MXenes: Can AHC be a tool to determine functional groups in 2D ferro(i)magnets?
Ajit Jena, Seung-Cheol Lee, Satadeep Bhattacharjee
Identifying the existence of specific functional groups in MXenes is a difficult topic that has perplexed researchers for a long time. We show in this paper that in the case of mag…
A general rule for predicting the magnetic moment of Cobalt-based Heusler compounds using compressed sensing and density functional theory
Satadeep Bhattacharjee, Seung-Cheol Lee
We propose a general rule for estimating the magnetic moments of Co(cobalt)-based Heusler alloys, especially when doped with late transition metals. We come up with a descripto…
Pressure induced isostructural phase transition in biskyrmion host hexagonal MnNiGa
Anupam K. Singh, Parul Devi, Ajit K. Jena +5
Magnetic skyrmions are vortex-like spin textures, which can be manipulated by external stress or pressure via magnetoelastic effects. Here, we present the observation of isostructu…
Electrical and magneto transport in 2D semiconducting MXene Ti2CO2
Anup Kumar Mandia, Namitha Anna Koshi, Bhaskaran Muralidharan +2
The Hall scattering factor is formulated using Rode's iterative approach to solving the Boltzmann transport equation in such a way that it may be easily computed within the scope o…
Atomic disorder and Berry phase driven anomalous Hall effect in Co2FeAl Heusler compound
Gaurav K. Shukla, Ajit K. Jena, Nisha Shahi +10
Co2-based Heusler compounds are the promising materials for the spintronics application due to their high Curie temperature, large spin-polarization, large magnetization density, a…