✔ Defining the topological influencers and predictive principles to engineer the band structure of halide perovskites. R. Kashikar, M. Gupta, and B. R. K. Nanda . Physical Review B . 101 . 155102 . 2020.
✔ Fluorine Intercalated Graphene: Formation of a 2D Spin Lattice through Pseudoatomization. S. B. Mishra, S. K. Yadav, D. G. Kanhere, and B. R. K. Nanda . Physical Review Materials . Accepted Page: arXiv:2005.09888. 2020.
✔ Mechanistic Understanding of NO2 Dissociation on a Rutile TiO2 (110) Surface: An Electronic Structure Study. S. Marutheeswaran, S. B. Mishra, S. C. Roy, and B. R. K. Nanda . The Journal of Physical Chemistry C . 124 . 8786 . 2020.
✔ Maximizing Short Circuit Current Density and Open Circuit Voltage in Oxygen Vacancy-Controlled Bi1–xCaxFe1–yTiyO3−δ Thin-Film Solar Cells. S. Nandy, K. Kaur, S. Gautam, K. H. Chae, B. R. K. Nanda, and C. Sudakar . ACS Applied Materials & Interfaces . 12 . 14105 . 2020.
✔ Pressure and Inversion Symmetry Breaking Field Driven First Order Phase Transition and Formation of Dirac Circle in Perovskites. A. Kore, R. Kashikar, M. Gupta, P Singh, and B. R. K. Nanda . Physical Review B . Accepted Page: arXiv:2004.06939. 2020.
✔ Stretchable and dynamically stable promising two-dimensional thermoelectric materials: ScP and ScAs. K. Kaur, D. Murali, B. R. K. Nanda . Journal of Materials Chemistry A . 7 . 12604 . 2019.
✔ Enhanced bulk photovoltaic response in Sn doped BaTiO3 through composition dependent structural transformation. L. Kola, D. Murali, S. Pal, B. R. K. Nanda, P. Murugavel . Appl. Phys. Lett. . 114 . 183901 . 2019.
✔ Band engineering via grain boundary defect states for large scale tuning of photoconductivity in Bi1−xCaxFe1−yTiyO3−δ. S Nandy, P. S. V. Mocherla, K. Kaur, S. Gautam, B..R..K. Nanda, C. Sudakar . J. Appl.Phys. . 126 . 235101. 2019.
✔ Large Bulk Photovoltaic Response by Symmetry-Breaking Structural Transformation in Ferroelectric [ Ba ( Zr 0.2 Ti 0.8 ) O 3 ]0.5[( Ba 0.7 Ca 0.3 ) Ti O 3 ]0.5 . A. B. Swain, D. Murali, B.R.K. Nanda, P. Murugavel . Phys. Rev. Applied . 11 . 044007 . 2019.
✔ Shifting of Fermi level and realization of topological insulating phase in the oxyfluoride BaBiO2F. B. Khamari, B.R. K. Nanda . Materials Research Express . 6 . 066309 . 2019.
✔ Universality in the electronic structure of 3d transition metal oxides. P. Parida, R. Kashikar, A. Jena, B. R. K. Nanda . Journal of Physics and Chemistry of Solids . 123 . 133 . 2018.
✔ Second-neighbor electron hopping and pressure induced topological quantum phase transition in insulating cubic perovskites. R. Kashikar, B. Khamari, B. R. K. Nanda . Phys. Rev. Materials . 2. 124204 . 2018.
✔ Quantum-mechanical process of carbonate complex formation and large-scale anisotropy in the adsorption energy of CO2 on anatase TiO2 (001) surface. S. B. Mishra, A. Choudhary, S. C. Roy, B. R. K. Nanda . Phys. Rev. Materials . 2 . 115801 . 2018.
✔ Giant photovoltaic response in band engineered ferroelectric perovskite. S. Pal, A. B. Swain, P. P. Biswas, D. Murali, A. Pal, B. R. K. Nanda, P. Murugavel . Scientific Reports . 8 . 8005. 2018.
✔ Quantum well structure of double perovskite superlattice and formation of spin-polarized two-dimensional electron gas. S. Samanta, S. B. Mishra, B. R. K. Nanda . Phys. Rev. B . 98 . 115155 . 2018.
✔ Designing Non-Polar Metallic Interfaces using Insulating Transition Metal Olivine Phosphates. A. Jena, D. Murali, B. R. K. Nanda . Advanced Theory and Simulations (Wiley Publication) . 1 . 1700007 . 2018.
✔ Topologically invariant double Dirac states in bismuth-based perovskites: Consequence of ambivalent charge states and covalent bonding. Bramachari Khamari, Ravi Kashikar, B. R. K. Nanda . Phys. Rev. B . 97 . 045149 . 2018.
✔ Giant exchange bias in the single-layered Ruddlesden-Popper perovskite SrLaCo0.5Mn0.5O4. R. R. Das, Priyadarshini Parida, A. K. Bera, Tapan Chatterji, B. R. K. Nanda, P. N. Santhosh . Phys. Rev. B . 98. 184417 . 2018.
✔ Oxygen vacancy induced photoconductivity enhancement in Bi1-xCaxFeO3-δ nanoparticle ceramics: A combined experimental and theoretical study. S. Nandy, K. Kaur, P. S. V. Mocherla, B. R. K. Nanda, C. Sudakar . J. Appl. Phys. . 124 . 195108 . 2018.
✔ Mn substitution controlled Li-diffusion in single crystalline nanotubular LiFePO4 high rate-capability cathodes: Experimental and theoretical studies. Akshay Kumar Budumuru, M. Viji, Ajit Jena, B.R.K. Nanda, C. Sudakar . Journal of Power Sources . 406 . 50-62. 2018.
✔ Effect of frustrated exchange interactions and spin-half-impurity on the electronic structure of strongly correlated NiFe2O4. K. Ugendar, S. Samanta, S. Rayaprol, V. Siruguri, G. Markandeyulu, B. R. K. Nanda . Phys. Rev. B . 96. 035138 . 2017.
✔ Enhancing CO2 Electroreduction by Tailoring Strain and Ligand Effects in Bimetallic Cu-Rh and Cu-Ni Heterostructures. Tuhina Adit Maark and B. R. K. Nanda . Journal of Physical Chemistry C . 121 . 4496 . 2017.
✔ Engineering Diffusivity and Operating Voltage in Lithium Iron Phosphate through Transition Metal Doping. Ajit Jena and B. R. K. Nanda . Phys. Rev. Applied . 7 . 034007 . 2017.
✔ Orbital driven impurity spin effect on the magnetic order of quasi-three dimensional cupric oxide. B. G. Ganga, P. N. Santhosh and B. R. K. Nanda . Journal of Physics: Condensed Matter . 29 . 155802 . 2017.
✔ Spin-glass state in nanoparticulate (La0.7Sr0.3MnO3)1−x (BaTiO3)x solid solutions:Experimental and density-functional studies. Chiranjib Nayek, S. Samanta, Kaustuv Manna, A. Pokle, B. R. K. Nanda, P. S. Anil kumar, and P. Murugavel . Phys. Rev. B . 93 . 094401 . 2016.
✔ Tailoring p- and n- type semiconductor through site selective oxygen doping in Cu3N: Density Functional Studies. Guruprasad Sahoo, Ravi Kashikar, Mahaveer K Jain, B. R. K. Nanda . Materials Research Express . 3 . 065902 . 2016.
✔ Intertwined lattice deformation and magnetism in monovacancy graphene. Haricharan Padmanabhan and B. R. K. Nanda . Phys. Rev. B . 93 . 165403 . 2016.
✔ First principles study of the electronic structure and magnetic properties of spin chain compounds: Ca3ZnMnO6 and Ca3ZnCoO6. J. Chakraborty, S. Samanta, B. R. K. Nanda and I. Dasgupta . J. Phys.: Condens. Matter . 28 . 375501 . 2016.
✔ Control over the charge transfer in dye-nanoparticle decorated graphene. SR Bongu, AV Veluthandath, BRK Nanda, S Ramaprabhu, PB Bisht . Chemical Physics Letters . 644 . 176-182. 2016.
✔ CO and CO2 Electrochemical Reduction to Methane on Cu, Ni and Cu3Ni (211) Surfaces. Tuhina Adit Maark, B. R. K. Nanda . Journal of Physical Chemistry (Part C) . 120 . 8781 . 2016.
✔ Unconventional Magnetism and Band Gap Formation in LiFePO4: Consequence of Polyanion Induced Non-planarity. Ajit Jena, B. R. K. Nanda . Scientific Reports . 6 . 19573 . 2016.
✔ Electronic structure of the substitutional vacancy in graphene: density functional and Green function studies. B. R. K. Nanda, M. Sherafati, Z. Popovic, S. Satpathy . New J. Phys. . 14 . 083004 . 2012.
✔ Nuclear tunneling and dynamical Jahn-Teller effect in graphene with vacancy. Z. Popovic, B. R. K. Nanda, S. Satpathy . Phys. Rev. B . 86 . 085458 . 2012.
✔ Electronic Phases and Phase Separation in the Hubbard-Holstein Model of a Polar Interface. B. R. K. Nanda and S. Satpathy . Phys. Rev. B . 83 . 195114 . 2011.
✔ Magnetic and Orbital Order in LaMnO3 under Uniaxial Strain: A Model Study. B. R. K. Nanda and S. Satpathy . Phys. Rev. B . 81. 174423 . 2010.
✔ Density-functional studies of uniaxially strained tetragonal LaMnO3. B. R. K. Nanda and S. Satpathy . J. Mag. Mag. Materials . 322 . 3653 . 2010.
✔ Polar Catastrophe and the spin polarized electron gas at the LaMnO3/SrMnO3 interface. B. R. K. Nanda and S. Satpathy . J. Vac. Sci. Technol. B . 28 . C5A24 . 2010.
✔ Polar Catastrophe, electron leakage, and magnetic ordering at the LaMnO3/SrMnO3 interface. B. R. K. Nanda and S. Satpathy . Phys. Rev. B . 81 . 224408 . 2010.
✔ Electronic and Magnetic Structure of the (LaMnO3)2n/(SrMnO3)n superlattices. B. R. K. Nanda and S. Satpathy . Phys. Rev. B . 79 . 054428 . 2009.
✔ Electronic Structure of Bilayer Graphene under External Electric Field and Strain. B. R. K. Nanda and S. Satpathy . Phys. Rev. B . 80 . 165430 . 2009.
✔ Effect of strain on Orbital ordering and Magnetism at the Perovskite oxide interfaces: LaMnO3/SrMnO3. B. R. K. Nanda and S. Satpathy . Phys. Rev. B . 78 . 054427 . 2008.
✔ Two-Dimensional Spin-Polarized Electron Gas at Oxide Interfaces. B. R. K. Nanda and S. Satpathy . Phys. Rev. Lett. . 101 . 127201 . 2008.
✔ Electron Leakage and Double-Exchange Ferromagnetism at the Interface between a Metal and an Antiferromagnetic Insulator: CaRuO3/CaMnO3. B. R. K. Nanda, S. Satpathy, M. S. Springborg . Phys. Rev. Lett. . 98 . 216804 . 2007.
✔ Electronic structure of half-metallic magnets. B. R. K. Nanda and I. Dasgupta . Comp. Mat. Science . 36 . 96 . 2006.
✔ Electronic structure and magnetism in doped semiconducting half-Heusler Compounds. B. R. K. Nanda and I. Dasgupta . J. Phys.: Condens. Matter . 17 . 5037 . 2005.
✔ Electronic structure and magnetism in half-Heusler compounds. B. R. K. Nanda and I. Dasgupta . J. Phys.: Condens. Matter . 15 . 7307 . 2003.
