16 citations · 24 across the 7 of their papers we have counts for
7 papers
Tuning electronic properties and Schottky contact in graphene-based van der Waals heterostructures by electric gating and interlayer coupling
Poonam Sharma, Archana Sharma, Alok Shukla
Van der Waals heterostructures (vdW HTSs) incorporating graphene (GE) have been an active area of research, both theoretical and experimental, due to their potential to yield devic…
Tuning the optoelectronic properties of graphene quantum dots by BN-ring doping: A density functional theory study
Samayita Das, Alok Shukla
Graphene monolayer is a material with zero band gap, because of which its applications in optoelectronics are limited. The question arises, can we modify the optoelectronic propert…
Engineering the electronic structure of TiO by transition metal doping: A First Principles DFT Study
Vikash Mishra, Shashi Pandey, Swaroop Ganguly +1
By means of first-principles density-functional theory (DFT) calculations, we perform a comparative analysis of the electronic and magnetic properties of transition metal-doped TiO…
Geometry, electronic structure, and optical properties of boron cages: A first-principles DFT study
Kashinath T. Chavan, Ihsan Boustani, Alok Shukla
A systematic study of the structural, electronic, and optical properties of cage-like boron clusters, with the number of constituent atoms ranging from 20 to 122, has been carried…
Computational study of geometry, electronic structure and low-lying excited states of linear T-graphene quantum dots
Arifa Nazir, Alok Shukla
A few years ago, by means of first-principles calculations, Enyashin et al.(2011) proposed several novel monolayers of carbon containing rings other than hexagons. One of those mon…
Defect engineering in two-dimensional pentagonal PdTe: Tuning electronic, optical, and magnetic properties
Poonam Sharma, Vaishali Roondhe, Alok Shukla
Recently, the successful synthesis of the pentagonal form of PdTe monolayer (\emph{p}-PdTe) was reported [Liu~\emph{et al.}, Nature Materials \textbf{23}, 1339 (2024)].…
Influence of strain and point defects on the electronic structure and related properties of (111)NiO epitaxial films
Bhabani Prasad Sahu, Poonam Sharma, Santosh Kumar Yadav +2
(111)NiO epitaxial films are grown on c-sapphire substrates at various growth temperatures ranging from room-temperature to 600C using pulsed laser deposition (PLD) technique. Two…