36 citations · 46 across the 6 of their papers we have counts for
3 papers · 1 filter
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…