127 citations · 365 across the 11 of their papers we have counts for
11 papers
Computational Discovery of Two-Dimensional Rare-Earth Iodides: Promising Ferrovalley Materials for Valleytronics
Abhishek Sharan, Stephan Lany, Nirpendra Singh
Two-dimensional Ferrovalley materials with intrinsic valley polarization are rare but highly promising for valley-based nonvolatile random access memory and valley filter. Using Ki…
Proximity induced spin-valley polarization in silicene/germanene on F-doped WS
Shahid Sattar, Nirpendra Singh, Udo Schwingenschlögl
Silicene and germanene are key materials for the field of valleytronics. However, interaction with the substrate, which is necessary to support the electronically active medium, be…
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…
Prediction of a quantum anomalous Hall state in Co decorated silicene
T. P. Kaloni, N. Singh, U. Schwingenschlögl
Based on first-principles calculations, we demonstrate that Co decorated silicene can host a quantum anomalous Hall state. The exchange field induced by the Co atoms combined with…
Electronic properties of Mn decorated silicene on hexagonal boron nitride
T. P. Kaloni, S. Gangopadhyay, N. Singh +2
We study silicene on hexagonal boron nitride, using first principles calculations. Since hexagonal boron nitride is semiconducting, the interaction with silicene is weaker than for…
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…
A first principles investigated optical spectra of oxizided graphene
N. Singh, T. P. Kaloni, Udo Schwingenschlögl
The electronic and optical properties of mono, di, tri, and tetravacancies in graphene are studied in comparison to each other, using density functional theory. In addition, oxidiz…