3 papers
cond-mat.mtrl-sci2026
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…
cond-mat.mtrl-sci2018
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…
cond-mat.mtrl-sci2018
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…