36 citations · 46 across the 6 of their papers we have counts for
7 papers
Advancing Magnetic Materials Discovery -- A structure-based machine learning approach for magnetic ordering and magnetic moment prediction
Apoorv Verma, Junaid Jami, Amrita Bhattacharya
Accurately predicting magnetic behavior across diverse materials systems remains a longstanding challenge due to the complex interplay of structural and electronic factors and is p…
Data-driven high-throughput search for the accelerated discovery of rare-earth-free permanent magnets
Junaid Jami, Nitish Bhagat, Amrita Bhattacharya
An integrated data-driven approach combined with a high-throughput framework based on first-principles calculations was used to discover novel rare-earth-free permanent magnets, fo…
Tailoring hard magnetic properties of Fe2MnSn Heusler alloy via interstitial modification: A first-principles approach
Junaid Jami, Rohit Pathak, N. Venkataramani +2
We employ first-principles calculations to explore interstitial engineering as a strategy to tailor the hard magnetic properties of Fe2MnSn Heusler alloy, establishing its potentia…
Critical role of electron-phonon interactions in determining the relative stability of Boron Nitride polymorphs
Shilpa Paul, M. P. Gururajan, Amrita Bhattacharya +1
Despite several first principles studies, the relative stability of BN polymorphs remains controversial. The stable polymorph varies between the cubic (c-BN) and hexagonal (h-BN) d…
A strategic high throughput search for identifying stable Li based half Heusler alloys for spintronics applications
Rohit Pathak, Parul R. Raghuvanshi, Amrita Bhattacharya
In this work, high throughput DFT calculations are performed on the alkali metal-based half Heusler alloys; LiYYS (Y, Y = V, Cr, Mn, Fe, Co, Ni and $\ma…
Strain Driven Anomalous Anisotropic Enhancement in the Thermoelectric Performance of monolayer MoS
Saumen Chaudhuri, Amrita Bhattacharya, A. K. Das +2
First principles density functional theory based calculations have been performed to investigate the strain and temperature induced tunability of the thermoelectric properties of m…
Self Doping for Synergistically Tuning the Electronic and Thermal Transport Coefficients in n-type Half-Heuslers
Parul R. Raghuvanshi, Dipanwita Bhattacharjee, Amrita Bhattacharya
Ternary intermetallic half-Heusler (HH) compounds (XYZ) with 18 valence electron count viz. ZrCoSb, ZrNiSn, and ZrPdSn, have revealed promising thermoelectric properties. Exemplari…