84 citations · 197 across the 13 of their papers we have counts for
9 papers · 1 filter
Predicting edge-localized monovacancy defects in zigzag graphene nanoribbons from Floquet quasienergy spectrum
Gulshan Kumar, Shashikant Kumar, Ajay Kumar +1
In this work, we prescribe a theoretical framework aiming at predicting the position of monovacancy defects at the edges of zigzag graphene nanoribbons (ZGNRs) using Floquet-Bloch…
Charge and Spin Thermoelectric Transport in Benzene-Based Molecular Nano-Junctions: A Quantum Many-Body Study
Parbati Senapati, Prakash Parida
Within the Coulomb blockade regime, our study delves into the charge, spin, and thermoelectric transport characteristics in a benzene-based molecular nano-junction using the Pauli…
Small Heterocyclic Molecule as Multistate Transistor: A Quantum Many-body Approach
Dibyajyoti Ghosh, Prakash Parida, Swapan K. Pati
Weakly coupled molecular junctions are an active and important field of research as they exhibit various non-linear transport phenomena. We have investigated the carrier transport…
Interacting Electrons in Graphene: Fermi Velocity Renormalization and Optical Response
T. Stauber, P. Parida, M. Trushin +3
We have developed a Hartree-Fock theory for electrons on a honeycomb lattice aiming to solve a long-standing problem of the Fermi velocity renormalization in graphene. Our model em…
Cyclopentadienyl-Benzene Based Sandwich Molecular Wires Showing Efficient Spin Filtering, Negative Differential Resistance, and Pressure Induced Electronic Transitions
Prakash Parida, Ershaad Ahamed Basheer, Swapan K Pati
Using density functional theory, we investigate TM-cyclopentadienyl-benzene sandwich molecular wires (SMWs) which are composites of TM-cyclopentadienyl and TM-benzene wires (TM = t…
Negative Differential Conductance in Nano-junctions: A Current Constrained Approach
Prakash Parida, Swapan K. Pati, Anna Painelli
A current constrained approach is proposed to calculate negative differential conductance in molecular nano-junctions. A four-site junction is considered where a steady-state curre…