DFT analysis of hydrogenated zigzag aluminum nitride nanoribbons for spintronic devices

S Kharwar, S Singh, BK Kaushik - IEEE Transactions on …, 2022 - ieeexplore.ieee.org
Density functional theory (DFT) and nonequilibrium Green's function (NEGF) framework are
used to explore the structural, spin-polarized electronic, and spin-based transport properties …

First-principle investigations of cove edged GaN nanoribbon for nanoscale resonant tunneling applications

S Kharwar, S Singh, NK Jaiswal - Solid State Communications, 2021 - Elsevier
This work investigates the impact of cove edges in gallium nitride nanoribbons (GaNNRs) as
cove edges nanoribbons are energetically more stable and facilitates further tunability of …

Giant magnetoresistance and rectification behavior in fluorinated zigzag boron nitride nanoribbon for spintronic nanodevices

S Kharwar, S Singh, NK Jaiswal - IEEE Transactions on …, 2022 - ieeexplore.ieee.org
In the present work, the spin-polarized structural and electronic properties of fluorine (F)
passivated zigzag boron nitride nanoribbons (ZBNNRs) at the selective boron (B) and …

Edge engineered graphene nanoribbons as nanoscale interconnect: DFT analysis

S Agrawal, A Srivastava, G Kaushal… - IEEE Transactions on …, 2022 - ieeexplore.ieee.org
Density functional theory (DFT) with non-equilibrium Green's function (NEGF) formalism and
HSPICE simulator have been used to analyse the effect of elemental oxygen atom …

Structural & electronic properties of zigzag silicene nanoribbons with symmetric/asymmetric edge passivations via fluorine and hydrogen

S Kharwar, S Singh, NK Jaiswal - Physica B: Condensed Matter, 2021 - Elsevier
The intriguing properties of silicene nanoribbons indicate potential applications in
nanoelectronic devices. The first-principles calculation based on density functional theory …

Selective edge-hydrogenated zigzag boron nitride nanoribbons for giant magnetoresistance and rectifying behavior

S Kharwar, S Singh, NK Jaiswal - IEEE Transactions on …, 2021 - ieeexplore.ieee.org
The structural stability, spin-polarized electronic and transport properties of edge-
hydrogenated zigzag boron nitride nanoribbons (ZBNNRs) are investigated using density …

Edge modified stanene nanoribbons for potential nanointerconnects

MS Krishna, S Singh, BK Kaushik - IEEE Transactions on …, 2022 - ieeexplore.ieee.org
For the theoretical investigation of stanene nanoribbons (SnNRs) as metal interconnect, first
principles calculations are carried out using density functional theory (DFT). The structural …

First-principles investigation of F-functionalized ZGNR/AGNR for nanoscale interconnect applications

M Jatkar, KK Jha, SK Patra - Journal of Computational Electronics, 2021 - Springer
Zigzag and armchair graphene nanoribbons (ZGNR and AGNR) have been investigated
using the density functional theory (DFT) and nonequilibrium Green's function (NEGF) …

Planar Quasi-1D Nano-Interconnects Based on Selective Edge Passivated ZnO Nanoribbons

MS Krishna, S Singh, BK Kaushik - IEEE Transactions on …, 2023 - ieeexplore.ieee.org
This work reports nano-interconnect properties in selective edge passivated zigzag ZnO
nanoribbons (ZnONRs) by deploying the density functional theory (DFT) in conjugation with …

First-principles investigations of N-vacancy induced zigzag boron nitride nanoribbons for nanoscale resonant tunneling applications

S Kharwar, S Singh, NK Jaiswal - Journal of Electronic Materials, 2021 - Springer
The structural, electronic, and transport properties of zigzag boron nitride nanoribbons
(ZBNNRs) with nitrogen-vacancy (N-vacancy) at the center (NV@ C), at the edge (NV@ E) …