High pressure structural, electronic, and optical properties of polymorphic InVO4 phases S Mondal, S Appalakondaiah, G Vaitheeswaran Journal of Applied Physics 119 (8), 2016 | 24 | 2016 |
Insights into the structural variations in SmNb 1− x Ta x O 4 and HoNb 1− x Ta x O 4 combined experimental and computational studies BG Mullens, M Avdeev, HEA Brand, S Mondal, G Vaitheeswaran, ... Dalton Transactions 50 (26), 9103-9117, 2021 | 18 | 2021 |
Understanding the re-entrant phase transition in a non-magnetic scheelite M Saura-Múzquiz, FP Marlton, BG Mullens, AM Manjón-Sanz, ... Journal of the American Chemical Society 144 (34), 15612-15621, 2022 | 14 | 2022 |
Crystal structure and phase transition of TlReO4: a combined experimental and theoretical study S Mondal, G Vaitheeswaran, BJ Kennedy, C Chay, S Injac, D Errandonea Journal of Physics: Condensed Matter 33 (6), 065403, 2020 | 12 | 2020 |
Comparative DFT study of vibrational, electronic, and optical properties of energetic alkali metal salts based on nitrogen‐rich 5‐aminotetrazole PK Jharapla, S Mondal, G Vaitheeswaran Journal of Computational Chemistry 42 (3), 180-191, 2021 | 10 | 2021 |
Structural, elastic, vibrational and optical properties of energetic material octanitrocubane studied from first-principles theory S Mondal, G Vaitheeswaran, MK Gupta, R Mittal Journal of Physics: Condensed Matter 32 (42), 425502, 2020 | 10 | 2020 |
Beyond the ionic radii: A multifaceted approach to understand differences between the structures of LnNbO4 and LnTaO4 fergusonites BG Mullens, M Saura-Múzquiz, FP Marlton, M Avdeev, HEA Brand, ... Journal of Alloys and Compounds 930, 167399, 2023 | 8 | 2023 |
Assembling Homometallic Sb6 and Heterometallic Ti4Sb2 Oxo Clusters U Ugandhar, T Navaneetha, J Ali, S Mondal, G Vaitheeswaran, V Baskar Inorganic Chemistry 59 (10), 6689-6696, 2020 | 8 | 2020 |
An Organic Electro‐Mechanical Cavity Emitting Efficiently Tunable, Continuous‐Wave‐Pumped Nonlinear‐Optical Modes N Mitetelo, J Ravi, S Mondal, U Venkataramudu, E Mamonov, M Popov, ... Advanced Optical Materials 11 (13), 2201635, 2023 | 5 | 2023 |
Electronic structure, phonons and optical properties of baryte type scintillators TlXO4 (X= Cl, Br) S Mukherjee, T Aiswarya, S Mondal, G Vaitheeswaran Journal of Physics: Condensed Matter 34 (11), 115502, 2022 | 4 | 2022 |
Structural, elastic, and quasiparticle bandstructure of 4,4′-Bis(nitramino)azofurazan from first principles theory G Mondal, S., Rocca, D., Lebègue, S., Vaitheeswaran Computational Materials Science 169 (109081), 8, 2019 | 4* | 2019 |
Selective electronic excitations in nearly half-metallic Heusler alloy NiFeMnSn—A Raman spectroscopic study K Bera, S Mukherjee, M Mukadam, S Mondal, MK Firoz, G Vaitheeswaran, ... Applied Physics Letters 121 (5), 2022 | 2 | 2022 |
Lattice dynamics and pressure induced metallization of solid iodanil (C6I4O2) studied using density functional theory S Mondal, T Ayadi, S Lebègue, MK Gupta, R Mittal, G Vaitheeswaran Physica Scripta 98 (7), 075918, 2023 | | 2023 |
Ab Initio Study of the Electronic Structure and Lattice Dynamics of Scheelite Type AgTcO4 S Mukherjee, S Mondal, BJ Kennedy, G Vaitheeswaran physica status solidi (b) 260 (6), 2200378, 2023 | | 2023 |
Insight into the structural variations of fergusonite-type structures: combined experimental and computational studies BG Mullens, M Avdeev, HEA Brand, S Mondal, G Vaitheeswaran, ... International Union of Crystallography, 2021 | | 2021 |
Structure-property correlations of bis (nitrofurazano) furazan (BNFF-1): A density functional theory study S Mondal, JP Kumar, EN Rao, G Vaitheeswaran AIP Conference Proceedings 2115 (1), 2019 | | 2019 |
Structural, vibrational, and electronic properties of TlReO4 studied using a first principles approach S Mondal, G Vaitheeswaran, D Errandonea arXiv preprint arXiv:1906.06920, 2019 | | 2019 |