4 papers
Dependency of XC functionals and role of 3s(2p) orbitals of Co(Si) as core/valence states on the vibrational and thermodynamic properties of CoSi
Shamim Sk, Sudhir K. Pandey
First-principles phonon calculations along with density functional theory (DFT) play an important role to study the dynamical and thermal properties of materials. Here, we investig…
Achieving high figure-of-merit in Nb-doped NaCoO compound at high temperature region
Arzena Khatun, Shamim Sk, Jayashree Pati +2
We report the thermoelectric (TE) properties of NaCoNbO in the temperature range K, as a potential candidate for p-type thermoelectric m…
Exploring the possibility of enhancing the figure-of-merit ( 2) of NaCoO: A combined experimental and theoretical study
Shamim Sk, Jayashree Pati, R. S. Dhaka +1
Search of new thermoelectric (TE) materials with high \textit{figure-of-merit} (ZT) is always inspired the researcher in TE field. Here, we present a combined experimental and theo…
Exploring the best scenario for understanding the high temperature thermoelectric behaviour of Fe2VAl
Shamim Sk, P. Devi, Sanjay Singh +1
Heusler-type Fe2VAl compound is a promising thermoelectric candidate with non-magnetic ground state. The present work investigates the Seebeck coefficient (S) of Fe2VAl in the temp…