Published Researchs

Tuning the bandgap of cubic and orthorhombic BaZrS3 by substituting sulfur with seleniumAIP Publishingphysical and thermal properties 2023  Visit URL
First-principles calculations to investigate structural, mechanical, electronic, optical, and thermoelectric properties of novel cubic double Perovskites X2AgBiBr6 (X=Li, Na, K, Rb, Cs) for optoelectronic devicesMolecular SimulationMaterials physics2023  Visit URL
Investigating the physical properties of lead-free halide double perovskites Cs2AgXBr6 (X = P, As, Sb) for photovoltaic and thermoelectric devices using the density functional theoryMaterials Today Communicationsmaterial science2023  Visit URL
Stoichiometric and Reduced Ceria Surfaces: Atomic Structure, Energetics and Electron LocalizationComputational and Theoretical Chemistrymaterial physics2023  Visit URL
Roles of Oxygen Vacancies and Excess Electron Localization on Ceria Surfaces: First Principles StudyInternational Journal of Thin Films Science and TechnologyMaterials physics2023  Visit URL
Effect of transition metals doping in magnetic properties of Fe3Se4 computational condensed matterMaterials physics2023  Visit URL
Effect of bromine de ciency on large elastic moduli of alpha-phase diisopropyl ammonium bromide ( -DIPAB) molecular crystalsTHE EUROPEAN PHYSICAL JOURNAL Bmaterial physics2020  Visit URL
First-Principles Calculation of Physical Tensors of ?-Diisopropylammonium Bromide (?-DIPAB) Molecular Ferroelectric CrystalFrontiers in Physicsmaterial physics2019  Visit URL
Effect of bromine deficiency on the lattice dynamics and dielectric properties of alpha-phase diisopropylammonium bromide molecular crystalsJournal of Physics and Chemistry of Solidsmaterial physics2018  Visit URL
Ferromagnetic Cr2Te3 nanorods with ultrahigh coercivityNanoscalematerial physics2018  Visit URL
Crystallographic, vibrational modes and optical properties data of ?-DIPAB crystalData in Briefmaterial physics2018  Visit URL
Large magnetoresistance in planar Fe/MoS2/Fe tunnel junctionComputational Materials Sciencematerial physics2016  Visit URL
Magnetic and magneto-transport studies of substrate effect on the martensitic transformation in a NiMnIn shape memory alloyAIP Advancesmaterial physics2016  Visit URL
Strain control of magnetocrystalline anisotropy and energy product of MnGa alloysJournal of Magnetism and Magnetic Materialsmaterial physics2015  Visit URL
Structural and electronic properties of Diisopropylammonium bromide molecular ferroelectric crystalIOP Conference Series: Materials Science and Engineeringmaterial physics2015  Visit URL
Generalized stacking fault in FePt nanoparticles and effects of extended defects on magnetocrystalline anisotropy energyJournal of Magnetism and Magnetic Materialsmaterials 2015  Visit URL
Ferroelectric properties of BaZrO3/PbZrO3 and SrZrO3/PbZrO3 superlattices: An ab-initio studyJournal of Applied Physics, materials 2014  Visit URL
Role of Vacancies in Zigzag Graphene Nanoribbons: An Ab Initio StudyJournal of Nano Research materials 2014  Visit URL
Spin density wave in periodically strained Graphene NanoribbonNanoscale materials 2014  Visit URL
Photo-switching of magnetization in iron nanoparticlesJ. Mater. Chem. Cmaterials 2014  Visit URL
Large Magnetoresistance of MnBi/Bi/MnBi Spin ValveJournal of Magnetism and Magnetic Materials materials 2014  Visit URL
First-principles Study of Boron- and Nitrogen-Doped Graphene in the Presence of Point Surface Defects, Journal of Computational and Theoretical Nanosciencematerials 2013  Visit URL
Electromechanical switching in graphene nanoribbonsCarbonmaterials 2013  Visit URL
, Boron- and Nitrogen-Doped Carbon Nanotubes with Surface Defects: An ab initio studyJournal of Computational and Theoretical Nanosciencematerials 2013  Visit URL
Structural and magnetic transitions in cubic Mn3GaJ. Phys.: Condens. Matter,materials 2013  Visit URL
Structural, magnetic, and electron transport properties of MnBi:Fe thin filmsJournal of Applied Physicsmaterials 2012  Visit URL
Electronic and Optical Properties of TaO1-xN1+x-based AlloysJournal of Solid State Chemistrymaterials 2012  Visit URL
Ab initio study of the interactions between boron and nitrogen dopants in grapheneJ. Appl. Phys. materials 2012  Visit URL
Structural and magnetic properties of Mn2+?TiSnJ. Appl. Phys. materials 2012  Visit URL
Electromechanical switch in metallic graphene nanoribbons via twisting, Physica E: Low-dimensional Systems and Nanostructures 2012 44 (10 ), 2021-2026. Physica E: Low-dimensional Systems and Nanostructuresmaterials 2012  Visit URL
Ab Initio Study of Boron- and Nitrogen-Doped Graphene and Carbon Nanotubes Functionalized with Carboxyl GroupsJ. Phys. Chem. C, 2011, 115 (38), pp 18500–18510materials 2011  Visit URL
Carboxylation of Boron- and Nitrogen-Doped Graphene and Carbon Nanotubes: First Principles StudyTechConnect Briefsmaterial physics2010  Visit URL
Ab Initio Study of Carboxylated Graphene The Journal of Physical Chemistry C materials 2009  Visit URL