101. Deterministic role of chemical bonding in the formation of altermagnetism: Reflection from correlated electron system NiS, Arijit Mandal, Arindom Das, B. R. K.  Nanda, (arXiv:2501.00453). https://doi.org/10.48550/arXiv.2501.00453

100. Tuning the band topology and topological Hall effect in skyrmion crystals via the spin-orbit coupling, Arijit Mandal, S Satpathy, B. R. K.  Nanda. https://doi.org/10.48550/arXiv.2411.06434

99. Tunable magnetism in spin-half 𝐴-site ordered perovskites: CaCu3⁢B4⁢O12, Jatin Kumar Bidika, Sudip Mandal, Yuichi Shimakawa, Kalpataru Pradhan, and B. R. K. Nanda, Phys. Rev. B 110, 165161. https://doi.org/10.1103/PhysRevB.110.165161

98. Thermomechanical motion in single crystals triggered by de-solvation induced structural transformation: Molecular insights and actuation, Manjeet Singh, VG Abhijitha, B. R. K. Nanda, Swati Nag, Prasant K Nanda, Subash C Sahoo, Materials Today Chemistry 41, 102309. https://doi.org/10.1016/j.mtchem.2024.102309

97. α-Graphyne with Ultra-low Diffusion Barriers as a Promising Sodium-ion Battery Anode and a Computational Scheme for Accurate Estimation of Theoretical Specific Capacity,  Babuji Dandigunta, Abhijitha V G, Sharma S. R. K. C. Yamijala and B. R. K. Nanda, Nanoscale. https://doi.org/10.1039/D4NR02797C

96. Emergence of giant orbital Hall and tunable spin Hall effects in centrosymmetric transition metal dichalcogenides, Pratik Sahu, Jatin Kumar Bidika, Bubunu Biswal, S Satpathy, B. R. K. Nanda, Phys. Rev. B 110, 054403. https://doi.org/10.1103/PhysRevB.110.054403

95. Room Temperature, Twist Angle Independent, Momentum Direct Interlayer Excitons in van der Waals heterostructures with Wide Spectral Tunability, S. Poudyal, M. Deka, P. Adhikary, P. K. Barman, R. Yadav, B. Biswal, R. Rajarapu, S. Mukherjee, B. R. K. Nanda, A. Singh, and A. Misra, Nano Letters, 24, 31, 9575–9582. https://doi.org/10.1021/acs.nanolett.4c02180

94. Valley-driven orbital polarization induced by a magnetic impurity in monolayer NbSe2, A. Chauhan, M. Gupta, T. Gautam, B. R. K. Nanda, and S. Satpathy, Phys. Rev. B 110, L041119. https://doi.org/10.1103/PhysRevB.110.L041119

93. Doping induced singlet to triplet superconducting transition in Ba2CuO3+δ, Priyo Adhikary, Mayank Gupta, B. R. K. Nanda, Shantanu Mukherjee. Phys. Rev. B 109, 224503. https://doi.org/10.1103/PhysRevB.109.224503

92. Single transition metal atom catalyst for high performance Li-S battery with graphdiyne-graphene heterostructure host: ADFT investigation + ML predictions. Abhijitha V G, Rohit Batra, and B. R. K. Nanda. ACS Catalysis, 14, 8874–8888. https://doi.org/10.1021/acscatal.4c02066

91. Charge and magnetic ordering near inhomogeneities in monolayer 2H-NbSe2, Buddhadeb Debnath, Mayank Gupta, B. R. K. Nanda, and Shantanu Mukherjee. Phys. Rev. B 109, 174212. https://doi.org/10.1103/PhysRevB.109.174212

90. Interplay of doping-induced itinerancy and orbital hybridization and their influence on the magnetic and transport properties of 

(Y 1-xCax) 2Ru 2O 7, Soumyakanta Panda, Amit Chauhan, B. R. K. Nanda and N. Mohapatra. Phys. Rev. B 109, 184423. https://doi.org/10.1103/PhysRevB.109.184423

89. Si2BN Nanosheet as an anchoring cathode material for realizing high capacity Al-ion battery, Abhijitha V. G., S. B. Mishra, B. R. K. Nanda, Energy Storage, 77, 109913. https://doi.org/10.1016/j.est.2023.109913

88. Enhancement of Quantum Efficiency in Perovskite Solar Cells through Whispering Gallery Modes from Titanium Oxide Micro-resonators​, Ayusmin Panda. C. Sudakar, and B. R. K. Nanda, Adv. Photonics Res., 2300339. https://doi.org/10.1002/adpr.202300339

87. Unique dxy superconducting state in the cuprate Ba2CuO3.25. Priyo Adhikary, Mayank Gupta, Amit Chauhan, Sashi Satpathy, Shantanu Mukherjee, and B. R. K. Nanda. Phys. Rev. B 109, L020505. https://doi.org/10.1103/PhysRevB.109.L020505 

2023

86. Magnetic Proximity induces efficient charge-to-spin conversion in large area PtSe_2/Ni_80Fe_20 heterostructures, Richa Mudgal, Alka Jakhar, Pankhuri Gupta, Ram Singh Yadav, B. Biswal, P. Sahu, Himanshu Bangar, Akash Kumar, Niru Chowdhury, Biswarup Satpati, B. R. K. Nanda, S. Satpathy, Samaresh Das, and P. K. Muduli, Nano Lett. 23, 24. https://doi.org/10.1021/acs.nanolett.3c04060

85. Electronic structure and optoelectronic properties of halide double perovskites:  Fundamental insights and design of a theoretical workflow, M. Gupta, Susmita Jana, and B. R. K. Nanda, Chem. Mater. 36, 1, 132–145. https://doi.org/10.1021/acs.chemmater.3c01048

84. Effective tight-binding Hamiltonian for the low-energy electronic structure of the Cu-doped Lead Apatite and the parent compound, M. Gupta, S. Satpathy, and B. R. K. Nanda (arXiv: 2308.13275). https://doi.org/10.48550/arXiv.2308.13275​ 

83. Breakdown of Jeff = 0 and Jeff = 3/2 states and existence of large magnetic anisotropy energy in vacancy ordered 5d antifluorites: K2ReCl6, K2OsCl6, and K2IrCl6, A. Chauhan and B. R. K. Nanda (arXiv:2306.13876). https://doi.org/10.48550/arXiv.2306.13876  ​

82. Formation of spin-orbital entangled 2D electron gas in layer delta-doped bilayer iridate LaδSr3Ir2O7 , A. Chauhan, A. Mandal, and B. R. K. Nanda, Phys. Rev. Materials, 7, 114409. https://doi.org/10.1103/PhysRevMaterials.7.114409

81. Field-induced Structural and Orbital Transformations Leading to Large Bulk Photovoltaic Response in Modified Barium Titanate, K. S. Priya, J. K. Bidika, S. Pal, D. Murali, B. R. K. Nanda, P. Murugavel, APL Materials, 11, 111112. https://doi.org/10.1063/5.0168076

80. Electron confinement in chain-doped transition metal dichalcogenides. A platform for spin-orbit coupled one-dimensional physics, M. Gupta, A. Chauhan, S. Satpathy, and B. R. K. Nanda, Phys. Rev. B, 108, 075139.  https://doi.org/10.1103/PhysRevB.108.075139​

79. Spin semi-metallic behavior and sublattice crossover in fully compensated ferrimagnetic half-Heusler compound (Co0.5Mn0.5)MnAl, R. Harikrishnan, J. K. Bidika, A. J. Chelvane, B. R. K. Nanda, and Harish Kumar Phys. Rev. B 108, 094407. https://doi.org/10.1103/PhysRevB.108.094407

78. Dimension-Controlled Synthesis of Hybrid Mixed Halide Perovskites for Solar Cell Application, T. Ghosh, M. Gupta, B. R. K. Nanda, K.Shankar, and D. Pradhan, ACS Appl. Mat. & Interfaces, 15, 37. https://doi.org/10.1021/acsami.3c09936

77. Layered semimetal as electrodes for future CMOS based heterogeneous electronics, B. Biswal, R. Rajarapu, S. Poudyal, R. Yadav, P. Barman, M. Mandal. R. Singh, B. R. K. Nanda, and A. Misra, Appl. Phys. Lett, 123, 113102. https://doi.org/10.1063/5.0164063

76. Electronic transport in VN/AlN/VNheterostructure: A semi-empirical tight binding based non-equilibrium Green’s function approach, H. Parvathy, M. Gupta, B. R. K. Nanda, S. Chandra, Mag. Materials, 586, 17119. http://dx.doi.org/10.2139/ssrn.4510162 

75. Bandgap engineered BaTiO_3 – based ferroelectric oxides for photovoltaic applications, N. V. Sarath, A. Chauhan, J. K. Bidika, S. Pal, B. R. K. Nanda, and P. Murugavel,  Appl. Phys. 134, 044101. https://doi.org/10.1063/5.0155390

74. Origin of high stability, enhanced specific capacity, and low Li diffusion energy in Boron doped Li_3V_2(PO_4)_3, D. S. Gavali, V. G. Abhijitha, B. R. K. Nanda, and Ranjit Thappa, Energy Storage, 69, 107899. https://doi.org/10.1016/j.est.2023.107899

73. Tuning the interplay of spin-orbit coupling and trigonal crystal-field effect in the Ising-like spin system Ca3 Co2 O6. Santanu De, Amit Chauhan, B. R. K. Nanda, and A. Banerjee, Phys. Rev. B 107, 014418. https://doi.org/10.1103/PhysRevB.107.014418 

72. Excellent photo actuation in crystal-polymer composite by transfer of mechanical energy, M. Singh, V. G. Abhijitha, B. R. K. Nanda, D. Pareek, S. Nath, S. Anwar, A. Kumar, P. K. Nanda, and S. C. Sahoo, Chemical Engineering, 464, 142665. https://doi.org/10.1016/j.cej.2023.142665

71. Anionic Alloying in Hybrid Halide Cs2AgBiBr6–xClx Double Perovskites: Is it True Alloying or Preferential Occupation of Halide Ions in MX6 Octahedra? A. C. Dakshinamurthy, M. Gupta, B. R. K. Nanda, and Chandran Sudakar, Phys. Chem. C 127, 3, 1588–1597. https://doi.org/10.102/acs.jpcc.2c05806

70. Simultaneous optical trapping and magnetic micromanipulation of ferromagnetic iron-doped upconversion microparticles in six degrees of freedom, G. Nalupurackal, M. Lokesh, R. Vaippully, Amit Chauhan, B. R. K. Nanda, C. Sudakar, H. C. Kotamarthi, A. Jannasch, E. Schffer, J. Senthilselvan, and B. Roy, ACS Applied Optical Materials, 1, 615. https://doi.org/10.48550/arXiv.2203.02152

2022

69. Formation of the skyrmionic polaron by Rashba and Dresselhaus spin-orbit coupling. Pratik Sahu, B. R. K. Nanda, and S. Satpathy, Phys. Rev. B 106, 224403. https://doi.org/10.1103/PhysRevB.106.224403

68. Electronic structure and magnetic properties of 3d−4f double perovskite material. S. Kundu, A. Pal, Amit Chauhan, K. Patro, K. Anand, S. Rana, V. G. Sathe, Amish G. Joshi, P. Pal, K. Sethupathi, B. R. K. Nanda, and P. Khuntia, Phys. Rev. Materials 6, 104401. https://doi.org/10.1103/PhysRevMaterials.6.104401

67. Regulating Polysulfide Conversion Kinetics Using Tungsten Diboride as Additive For High-Performance Li–S Battery. T. S. Sahu, Avijitha V. G., I. Pal, S. Sau, M. Gautam, B. R. K. Nanda, S. Mitra, Small, 18, 2203222 https://doi.org/10.1002/smll.202203222

66. Stabilization of A-site ordered perovskites and formation of spin-half antiferromagnetic lattice: CaCu3Ti4O12 and CaCu3Zr4O12. J. K. Bidika, Amit Chauhan, and B. R. K. Nanda, Phys. Rev. B 106, 115152 https://doi.org/10.1103/PhysRevB.106.115152

65. Work function of van der Waals topological semimetals: Experiment and theory. B. Biswal, S. B. Mishra, R. Yadav, S. Poudyal, R. Rajarapu, K. P. Barman, K. R. Pandurang, M. Mandal, R. P. Singh, B. R. K. Nanda, and A. Mishra, Appl. Phys. Lett. 120, 093101.     https://doi.org/10.1063/5.0079032

64. Spin texture as polarization fingerprint of halide perovskites. Mayank Gupta and B. R. K. Nanda, Phys. Rev. B 105,035129.  https://doi.org/10.1103/PhysRevB.105.035129  

63. Exploration of trivial and nontrivial electronic phases and of collinear and noncollinear magnetic phases in low-spin d5 perovskites. Amit Chauhan and B. R. K. Nanda, Phys. Rev. B 105, 045127. https://doi.org/10.1103/PhysRevB.105.045127

62. Design of an aluminium ion battery with a graphyne host: lowest volume expansion, high stability and low diffusion barriers. Abhijitha V. G., S. B. Mishra, S. Ramaprabhu, and B. R. K. Nanda, Nanoscale Adv, 4, 3870-3882. https://doi.org/10.1039/D2NA00058J

61. Localized thermal spike driven morphology and electronic structure transformation in swift heavy ion irradiated TiO2 nanorods. S. Dey, A. Chakravorty, S. B. Mishra, N. Khatun, A. Hazra, and B. R. K. Nanda, C. Sudakar, K. Debdulal, S. C. Roy, Nanoscale Adv, 4, 241-249. http://dx.doi.org/10.1039/D1NA00666E

2021

60. Induction of large magnetic anisotropy energy and formation of multiple Dirac states in SrIrO3 films: Role of correlation and spin–orbit coupling. Amit Chauhan and B. R. K. Nanda, Appl. Phys. Lett. 119, 261906. https://doi.org/10.1063/5.0076375

59. Chemically and electrically tunable spin polarization in ferroelectric Cd-based hybrid organic-inorganic perovskites, Ravi Kashikar, P. S. Ghosh, S. Lisenkov, B. R. K. Nanda, and I. Ponomareva, Phys. Rev. B 104, 235132. https://doi.org/10.1103/PhysRevB.104.235132

58. Adsorption and degradation mechanism of 2,4,6-trinitrotoluene on TiO2 (110) surface, Shashi B. Mishra and S. Marutheeswaran and Somnath C.Roy and V. Natarajan and P.K. Rai and B. R. K. Nanda, Surface Science, 713, 121902 https://doi.org/10.1016/j.susc.2021.121902

57. Feeble metallicity and robust semiconducting regime in structurally sensitive Ba(Pb, Sn)O3 alloys, Ravi Kashikar and B. R. K. Nanda, Appl. Phys. Lett. 19, 152103. https://doi.org/10.1063/5.0061216

56. Graphdiyne—A Two-Dimensional Cathode for Aluminum Dual-Ion Batteries with High Specific Capacity and Diffusivity, Shashi B. Mishra, Abhijitha V G, S. Ramaprabhu, and B. R. K. Nanda, ACS Applied Energy Materials 8, 7786-7799. https://doi.org/10.1021/acsaem.1c01164

55. Manipulation of parity and polarization through structural distortion: Design principles for high luminescent and high carrier lifetime in halide double perovskites, T. Appadurai, R. Kashikar, P. Sikarwar, S. Antharjnam, B. R. K. Nanda, and A. K. Chandiran. Communications Materials (Nature Publishing) 2, 68. https://doi.org/10.1038/s43246-021-00172-9

54. Development of short and long-range magnetic order in the double perovskite based frustrated triangular lattice antiferromagnet Ba2MnTeO6, J. Khatua, T. Arh, S. B. Mishra, H. Luetkens, A. Zorko, B. Sana, B. R. K. Nanda, and P. Khuntia, Scientific Reports (Nature Publishing) 11, 6959. https://doi.org/10.1038/s41598-021-84876-5

53. A Generic Slater-Koster Description of the Electronic Structure of Centrosymmetric Halide Perovskites, R. Kashikar, M. Gupta, and B. R. K. Nanda, Chem. Physics, 154, 104706. https://doi.org/10.1063/5.0044338

52. Electronic Structure of Graphene/TiO2 Interface: Design and Functional Perspectives, S. B. Mishra, S. C. Roy, and B. R. K. Nanda, Appl. Surf. Science, 542, 148709. https://doi.org/10.1016/j.apsusc.2020.148709

51. Localization Crossover Near Metal-Insulator Transition in Two-Dimension Limit of CaCu3Ru4O12, S. Jana, S. G. Bhat, B. C. Behera, L. Patra, P. S. Kumar, B. R. K. Nanda, D. Samal, Europhys. Lett. 133, 17005. https://doi.org/10.1209/0295-5075/133/17005

2020

50. Metal-Insulator Transition in Ga doped ZnO via Controlled Thickness, J. Mukherjee, B. R. K. Nanda, M. S. R. Rao, Phys. Condens. Matter, 33, 105703. https://doi.org/10.1088/1361-648X/abc800

49. Density Functional Theory Studies of Si2BN Nanosheets as Anode Materials for Magnesium-Ion Batteries, P. Panigrahi, S. B. Mishra, T. Hussain, B. R. K. Nanda, and R. Ahuja, ACS Appl. Nano Mater, 3, 9055. https://doi.org/10.102/acsanm.0c01747

48. Fluorine Intercalated Graphene: Formation of a 2D Spin Lattice through PseudoatomizationS. B. Mishra, S. K. Yadav, D. G. Kanhere and B. R. K. Nanda, Phys. Rev. Materials, 4, 074411. https://doi.org/10.110/PhysRevMaterials.4.074411

47. 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, Phys. Rev. B, 102, 035116. https://doi.org/10.1103/PhysRevB.102.035116

46. Defining the topological influencers and predictive principles to engineer the band structure of halide perovskites, R. Kashikar, M. Gupta, and B. R. K. Nanda, Phys. Rev. B, 101, 155102. https://doi.org/10.1103/PhysRevB.101.155102

45. 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, Phys. Chem. C, 124, 8786. https://doi.org/10.1021/acs.jpcc.0c00525

44. 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 Appl. Mater. Interfaces 12, 14105.  https://doi.org/10.1021/acsami.9b18357

43. Facet Dependent Catalytic Activities of Anatase TiO2 for CO2 Adsorption and Conversion, S. B. Mishra and B. R. K. Nanda, Appl. Surf. Science, 531, 147330. https://doi.org/10.1016/j.apsusc.2020.147330

2019

42. 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, and C. Sudakar,  Appl. Phys. 126, 235101. https://doi.org/10.1063/1.5119845

41. Stretchable and Dynamically Stable Promising Two-Dimensional Thermoelectric Materials: ScP and ScAs, K. Kaur, D. Murali, and B. R. K. Nanda, Mater. Chem. A, 7, 12604. https://doi.org/10.1039/c9ta01393h

40. Enhanced bulk photovoltaic response in Sn doped BaTiO3 through composition dependent structural transformation, L. Kola, D. Murali, S. Pal, B. R. K. Nanda, and P. Murugavel, Appl. Phys. Lett., 114, 183901. https://doi.org/10.1063/1.5088635

39. Large Bulk Photovoltaic Response by Symmetry-Breaking Structural Transformation in Ferroelectric [Ba(Zr0.2Ti0.8)O3]0.5[(Ba0.3Ca0.3)TiO3]0.5 A. B. Swain, D. Murali, B. R. K. Nanda, and P. Murugavel, Phys. Rev. Applied, 11, 044007 . https://doi.org/10.1103/PhysRevApplied.11.044007.

38. Shifting of Fermi level and realization of topological insulating phase in the oxyfluoride BaBiO2F, B. Khamari and B. R. K. Nanda, Mat. Res. Express, 6,066309. https://doi.org/10.1088/2053-1591/ab0b13

2018

37. Second-neighbor electron hopping and pressure induced topological quantum phase transition in insulating cubic perovskites, R. Kashikar, B. Khamari and B. R. K. Nanda, Phys. Rev. Material, 2, 124204. https://doi.org/10.1103/PhysRevMaterials.2.124204

36. 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, and B. R. K. Nanda, Phys. Rev. Material, 2, 115801. https://doi.org/10.1103/PhysRevMaterials.2.115801

35. Giant exchange bias in the single-layered Ruddlesden-Popper perovskite SrLaCo0.5Mn0.5O4, R. Das, P. Parida, A. K. Bera, T. Chatterji, B. R. K. Nanda, and P. N. Santhosh, Phys. Rev. B, 98, 184417. https://doi.org/10.1103/PhysRevB.98.184417

34. Oxygen vacancy induced photoconductivity enhancement in Bi1-xCaxFeO3-d nanoparticle ceramics: A combined experimental and theoretical study, S. Nandy, K. Kaur, P. Mocherla, B. R. K. Nanda, and C. Sudakar, Appl. Phys, 24, 195108. https://doi.org/10.1063/1.5055742

33. Mn substitution controlled Li-diffusion in single crystalline nanotubular LiFePO4 high rate-capability cathodes: Experimental and theoretical studies, A. K. Budumuru, M. Viji, A. Jena, B. R. K. Nanda, and C. Sudakar, Power Sources, 406, 50. https://doi.org/10.1016/j.jpowsour.2018.10.020

32. Giant photovoltaic response in band engineered ferroelectric perovskite, S. Pal, A. B. Swain, P. P. Biswas, D. Murali, A. Pal, B. R. K. Nanda and P. Murugavel, Scientific Reports, 8, 8005. https://doi.org/10.1038/s41598-018-26205-x

31. Quantum well structure of double perovskite superlattice and formation of spin-polarized two-dimensional electron gas, S. Samanta, S. B. Mishra, and B. R. K. Nanda, Phys. Rev. B, 98, 115155. https://doi.org/10.1103/PhysRevB.98.115155

30. Universality in the electronic structure of 3d transition metal oxides, P. Parida, R. Kashikar, A. Jena, and B. R. K. Nanda, Phys. and Chem. Solids, 123, 133-149. https://doi.org/10.1016/j.jpcs.2018.04.009

29. Topologically Invariant Double Dirac States in Bismuth based Perovskites: Consequence of Ambivalent Charge States and Covalent Bonding, B. Khamari, R. Kashikar, and B. R. K. Nanda, Phys. Rev. B, 97, 045149. https://doi.org/10.1103/PhysRevB.97.045149

28. Designing Non-Polar Metallic Interfaces using Insulating Transition Metal Olivine Phosphates, A. Jena, D. Murali and B. R. K. Nanda, Adv. Theory Simul., 1, 1700007. https://doi.org/10.1002/adts.201700007

2017

27. Microstrain induced deviation from N'eel's 1/d behaviour: Size-dependent magnetization in Bi1-xCaxFe1-yTiyO3-δ nanoparticles, P. S. V. Mocherla, M. B. Sahana, E. Abdelhamid, D. Hajra, B. Nadgorny, R. Naik, R. Gopalan, M. S. Rao, B. R. K. Nanda and C Sudakar, Mater. Res. Express, 4, 106106. https://doi.org/10.1088/2053-1591/aa9088

26. 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. https://doi.org/10.1103/PhysRevApplied.7.034007

25. 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. https://doi.org/10.1103/PhysRevB.96.035138

24. 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, Phys. Condens. Matter, 29, 155802. https://doi.org/10.1088/1361-648X/aa58c2

23. Enhancing CO2 Electroreduction by Tailoring Strain and Ligand Effects in Bimetallic Cu-Rh and Cu-Ni Heterostructures, T. A. Maark and B. R. K. Nanda, Phys. Chem. C, 121, 4496. https://doi.org/10.1021/acs.jpcc.7b00940

2016

22. 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, Phys. Condens. Matter, 28, 375501. https://doi.org/10.1088/0953-8984/28/37/375501

21. Tailoring p-and n-type semiconductor through site selective oxygen doping in Cu3N: density functional studies, G. Sahoo, R. Kashikar, M. K. Jain and B. R. K. Nanda, Mat. Res. Express, 3, 065902. https://doi.org/10.1088/2053-1591/3/6/065902

20. CO and CO2 Electrochemical Reduction to Methane on Cu, Ni, and Cu3Ni (211) Surfaces, T. A. Maark and B. R. K. Nanda, Phys. Chem. C, 120 (16), 8781. https://doi.org/10.1021/acs.jpcc.6b01665

19. Intertwined lattice deformation and magnetism in monovacancy graphene, H. Padmanabhan, and B. R. K. Nanda, Phys. Rev. B, 93, 165403. https://doi.org/10.1103/PhysRevB.93.165403

18. Spin-glass state in nanoparticulate (La0.7Sr0.3MnO3)1− x(BaTiO3)x solid solutions: Experimental and density-functional studies, C. Nayek, S. Samanta, K. Manna, A. Pokle, B. R. K. Nanda and P. Murugavel, Phys. Rev. B, 93, 094401. https://doi.org/10.1103/PhysRevB.93.094401

17. Unconventional Magnetism and Band Gap Formation in LiFePO4: Consequence of Polyanion Induced Non-planarity, A. Jena and B. R. K. Nanda, Scientific Reports, 6, 19573. https://doi.org/10.1038/srep19573

16. Control over the charge transfer in dye-nanoparticle decorated graphene, S. R. Bongu, A. V. Veluthandath, B. R. K. Nanda, S. Ramaprabhu and P. B. Bisht, Chem. Phys. Lett. 644, 176. https://doi.org/10.1016/j.cplett.2015.12.023

2015 - 2003

15. Nuclear tunneling and dynamical Jahn-Teller effect in graphene with vacancy, Z.S. Popovic, B. R. K. Nanda and S Satpathy, Phys. Rev. B, 86, 085458. https://doi.org/10.1103/PhysRevB.86.085458

14. Electronic structure of the substitutional vacancy in graphene: density-functional and Green's function studies, B. R. K. Nanda, M Sherafati, Zoran S Popović and S Satpathy, New. Phys. 14, 083004. https://doi.org/10.1088/1367-2630/14/8/083004

13. 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. https://doi.org/10.1103/PhysRevB.83.195114

12. Density functional studies of LaMnO3 under uniaxial strain, B. R. K. Nanda and S. Satpathy,  Mag. Mater. 322, 3653.  https://doi.org/10.1016/j.jmmm.2010.07.017

11. Polar catastrophe and the spin-polarized electron gas at the LaMnO3/SrMnO3 interface, B. R. K. Nanda and S. Satpathy, Vac. Sc. & Technol. B, 28, C5A24. https://doi.org/10.1116/1.3454370

10. Polar catastrophe, electron leakage, and magnetic ordering at the LaMnO3/SrMnO3 interface, B. R. K. Nanda and S. Satpathy, Phys. Rev. B, 81, 224408. https://doi.org/10.1103/PhysRevB.81.224408

9. Magnetic and orbital order in LaMnO3 under uniaxial strain: A model study, B. R. K. Nanda and S. Satpathy, Phys. Rev. B, 81, 174423.  https://doi.org/10.1103/PhysRevB.81.174423

8. Strain and electric field modulation of the electronic structure of bilayer graphene, B. R. K. Nanda and S. Satpathy, Phys. Rev. B, 80, 165430. https://doi.org/10.1103/PhysRevB.80.165430

7. Electronic and magnetic structure of the (LaMnO3)2n/(SrMnO3)n superlattices, B. R. K. Nanda and S. Satpathy, Phys. Rev. B, 79, 054428. https://doi.org/10.1103/PhysRevB.79.054428

6. Spin-polarized two-dimensional electron gas at oxide interfaces, B. R. K. Nanda and S. Satpathy, Phys. Rev. Lett, 101, 127201. https://doi.org/10.1103/PhysRevLett.101.127201

5. Effects of strain on orbital ordering and magnetism at perovskite oxide interfaces: LaMnO3/SrMnO3, B. R. K. Nanda and S. Satpathy, Phys. Rev. B, 78, 054427. https://doi.org/10.1103/PhysRevB.78.054427

4. Electron Leakage and Double-Exchange Ferromagnetism at the Interface between a Metal and an Antiferromagnetic Insulator: CaRuO3/CaMnO3, B. R. K. Nanda and S. Satpathy, Phys. Rev. Lett, 98, 216804. https://doi.org/10.1103/PhysRevLett.98.216804

3. Electronic structure of half-metallic magnets, B. R. K. Nanda and I Dasgupta, Comp. Mater. Sci., 36, 96. https://doi.org/10.1016/j.commatsci.2004.11.020

2. Electronic structure and magnetism in doped semiconducting half-Heusler compounds, B. R. K. Nanda and I Dasgupta, J. Phys. Condens. Matter, 17, 5037. https://doi.org/10.1088/0953-8984/17/33/008

1. Electronic structure and magnetism in half-Heusler compounds, B. R. K. Nanda and I Dasgupta, Phys. Condens. Matter, 15, 7307. https://doi.org/10.1088/0953-8984/15/43/014