40 citations · 98 across the 8 of their papers we have counts for
8 papers
Pressure-driven structural phase transition unlocks multifunctionality in KMgX (X = P, As, Sb, and Bi) compounds: A first-principles study
Chetna Saini, Neha Sadanandan, Tashi Nautiyal +3
The search for materials with multifunctional properties has attracted significant attention due to their potential applications in various energy-related devices. Pressure-induced…
Spin and current transport in the robust half-metallic magnet -CoFeGe
Vikrant Chaudhary, Sapna Singh, Deepak Gujjar +4
Spintronics is an emerging form of electronics based on the electrons' spin degree of freedom for which materials with robust half-metallic ferromagnet (HMF) character are very att…
Effect of hydrostatic pressure and alloying on thermoelectric properties of van der Waals solid KMgSb: An \textit{ab-initio} study
Vikrant Chaudhary, Tulika Maitra, Tashi Nautiyal +2
Through a combined first-principles and Boltzmann transport theory, we systematically investigate the thermal and electrical transport properties of the unexplored ternary quasi tw…
Origins of multi-sublattice magnetism and superexchange interactions in double-double perovskite CaMnCrSbO6
Rakshanda Dhawan, Padmanabhan Balasubramanian, Tashi Nautiyal
We have deployed density functional theory, Wannier function analysis and mean-field calculations to investigate the double-double perovskite compound CaMnCrSbO_{6}. The crystallog…
The generalized gradient approximation kernel in time-dependent density functional theory
N. Singh, P. Elliott, T. Nautiyal +2
A complete understanding of a material requires both knowledge of the excited states as well as of the ground state. In particular, the low energy excitations are of utmost importa…
FeTaSb and FeMnTiSb as promising thermoelectric materials: An ab initio approach
Mohd Zeeshan, Tashi Nautiyal, Jeroen van den Brink +1
Thermoelectricity in principle provides a pathway to put waste heat to good use. Motivated by this we investigate thermal and electrical transport properties of two new Fe-based He…
Nature of itineracy in CoVO: A first principles study
Ramandeep Kaur, Tulika Maitra, Tashi Nautiyal
Inspired by recent experiments, we have theoretically explored the nature of itineracy in CoVO under pressure and investigated, using first principles density functional th…
Effect of spin-orbit coupling on magnetic and orbital order in MgVO
Ramandeep Kaur, T. Maitra, T. Nautiyal
Recent measurements on MgVO single crystal have reignited the debate on the role of spin-orbit (SO) coupling in dictating the orbital order in Vanadium spinel systems. Dens…