9 citations · 17 across the 5 of their papers we have counts for
6 papers
Strain induced variations in transport and optical properties of SrVO: a DFT+U study
Maitreyo Biswas, Debolina Misra, Tarun K. Kundu
First-principles calculations based on density functional theory + Hubbard U (DFT+U) approach have been carried out to study the strain induced variations in the optical and transp…
Role of strain on the stability of B, C, N, and O in Iron
P. S. V. R. A. Kishor, Prince Gollapalli, Debolina Misra +2
The preference for the occupation of solute atoms like B, C, N, and O at various sites in iron is generally explained by the size of the solute and the volume available for the sol…
Nb Implanted BaO as a Support for Gold Single Atoms
Debolina Misra, Satyesh K. Yadav
Using first-principles modelling based on density functional theory we show that oxides implanted with transition metal can act as support for Au single atoms, which are stable aga…
On the Origin of Precipitation of Transition Metals Implanted in MgO
Debolina Misra, Satyesh K. Yadav
Transition metals implanted in single crystal MgO can precipitate out at grain boundaries or remain embedded in bulk. Using first-principles calculations based on density functiona…
Stability of Implanted Transition Metal Dopants in Rock-salt Oxides
Debolina Misra, Satyesh K. Yadav
Transition metals (TMs) implanted in oxides with rock-salt crystal structures (for example MgO and BaO) are assumed to substitute cations (Mg in case of MgO) from the lattice sites…
A Dynamical Mean-field Study of LaNiO
Debolina Misra
While most of the rare-earth nickelates exhibit a temperature-driven sharp metal-insulator transition, LaNiO is the only exception remaining metallic down to low temperatures.…