42 citations
- Banaras Hindu UniversityIN4 papers
- Korea Institute of Science and TechnologyKR4 papers
- Indian Institute of Science BangaloreIN3 papers
- Indian Institute of Technology BombayIN3 papers
- UGC DAE Consortium for Scientific ResearchIN2 papers
- Charles UniversityCZ1 paper
- Dresden High Magnetic Field LaboratoryDE1 paper
- Elettra-Sincrotrone Trieste S.C.p.A.IT1 paper
- Helmholtz-Zentrum Dresden-RossendorfDE1 paper
- Indian Institute of Technology GoaIN1 paper
- Indian Institute of Technology KharagpurIN1 paper
- Indian Institute of Technology MandiIN1 paper
6 papers · 1 filter
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…
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 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…
Chemical bonding in large systems using projected population analysis from real-space density functional theory calculations
Kartick Ramakrishnan, Sai Krishna Kishore Nori, Seung-Cheol Lee +3
We present an efficient and scalable computational approach for conducting projected population analysis from real-space finite-element (FE) based Kohn-Sham density functional theo…
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…
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…