52 citations · 120 across the 6 of their papers we have counts for
6 papers
Thermoelectric performance in electron and hole doped PtSb
Y. Saeed, N. Singh, Schwingenschlögl
We employ density functional theory to investigate the thermoelectric properties of electron and hole doped PtSb. Our results show that for doping of 0.04 holes per unit cell (…
Thickness and strain effects on the thermoelectric transport in nanostructured Bi2Se3
Y. Saeed, N. Singh, U. Schwingenschlog
The structural stability, electronic structure, and thermal transport properties of one to six quintuple layers (QLs) of Bi2Se3 are investigated by van der Waals density functional…
Influence of substitution on the optical properties of functionalized pentacene monomers and crystals: Experiment and theory
Y. Saeed, K. Zhao, N. Singh +4
The influence of solubilizing substitutional groups on the electronic and optical properties of functionalized pentacene molecules and crystals have been investigated. Density func…
Impact of lattice strain on the tunnel magneto-resistance in Fe/Insulator/Fe and Fe/Insulator/LaSrMnO magnetic tunnel junctions
Y. Saeed, N. Singh, N. Useinov +1
The objective of this work is to describe the tunnel electron current in single barrier magnetic tunnel junctions within a new approach that goes beyond the single-band transport m…
Half-metallicity and giant magneto-optical Kerr effect in N-doped NaTaO
Y. Saeed, N. Singh, U. Schwingenschlögl
We employ density functional theory using the modified Becke-Johnson (mBJ) approach to investigate the electronic and magneto-optical properties of N-doped NaTaO. The mBJ resul…
Colossal Thermoelectric Power Factor in KRhO
Y. Saeed, N. Singh, U. Schwingenschlögl
We discuss the thermoelectric and optical properties of layered KRhO (\emph{x} = 1/2 and 7/8) in terms of the electronic structure determined by first principles calcul…