| Phonons and anomalous thermal expansion behaviour in crystalline solids R Mittal, MK Gupta, SL Chaplot Progress in Materials Science 92, 360-445, 2018 | 170 | 2018 |
| Extreme phonon anharmonicity underpins superionic diffusion and ultralow thermal conductivity in argyrodite Ag8SnSe6 Q Ren, MK Gupta, M Jin, J Ding, J Wu, Z Chen, S Lin, O Fabelo, ... Nature materials 22 (8), 999-1006, 2023 | 130 | 2023 |
| Fast Na diffusion and anharmonic phonon dynamics in superionic Na3PS4 MK Gupta, J Ding, NC Osti, DL Abernathy, W Arnold, H Wang, Z Hood, ... Energy & Environmental Science 14, 6554-6563, 2021 | 107 | 2021 |
| Strongly Anharmonic Phonons and Their Role in Superionic Diffusion and Ultralow Thermal Conductivity of Cu7PSe6 MK Gupta, J Ding, D Bansal, DL Abernathy, G Ehlers, NC Osti, WG Zeier, ... Advanced Energy Materials 12 (23), 2200596, 2022 | 91 | 2022 |
| Structural and electrical properties of layered perovskite type Pr2Ti2O7: Experimental and theoretical investigations SJ Patwe, V Katari, NP Salke, SK Deshpande, R Rao, MK Gupta, R Mittal, ... Journal of materials chemistry C 3 (17), 4570-4584, 2015 | 66 | 2015 |
| Phase transitions and thermodynamic properties of yttria, Y2O3: Inelastic neutron scattering shell model and first-principles calculations PP Bose, MK Gupta, R Mittal, S Rols, SN Achary, AK Tyagi, SL Chaplot Physical Review B—Condensed Matter and Materials Physics 84 (9), 094301, 2011 | 56 | 2011 |
| Negative Thermal Expansion in cubic ZrW2O8: Role of Phonons in Entire Brillouin Zone From ab-inito Calculations MK Gupta, R Mittal, SL Chaplot arXiv preprint arXiv:1304.2921, 2013 | 55 | 2013 |
| Phonons, nature of bonding, and their relation to anomalous thermal expansion behavior of M2O (M= Au, Ag, Cu) MK Gupta, R Mittal, SL Chaplot, S Rols Journal of Applied Physics 115 (9), 2014 | 47 | 2014 |
| Lattice dynamics and thermal expansion behavior in the metal cyanides (, Ag, Au): Neutron inelastic scattering and first-principles calculations MK Gupta, B Singh, R Mittal, S Rols, SL Chaplot Physical Review B 93 (13), 134307, 2016 | 43 | 2016 |
| Negative thermal expansion behaviour in MZrF6 (M= Ca, Mg, Sr): Ab-initio lattice dynamical studies MK Gupta, B Singh, R Mittal, SL Chaplot arXiv preprint arXiv:1804.05623, 2018 | 40 | 2018 |
| Revisiting eigen displacements of tetragonal BaTiO3: Combined first principle and experimental investigation V Dwij, BK De, G Sharma, DK Shukla, MK Gupta, R Mittal, V Sathe Physica B: Condensed Matter 624, 413381, 2022 | 38 | 2022 |
| Soft-phonon anharmonicity, floppy modes, and Na diffusion in : Ab initio and machine-learned molecular dynamics simulations MK Gupta, S Kumar, R Mittal, SL Chaplot Physical Review B 106 (1), 014311, 2022 | 36 | 2022 |
| Phonon instability and mechanism of superionic conduction in LiO MK Gupta, P Goel, R Mittal, N Choudhury, SL Chaplot Physical Review B—Condensed Matter and Materials Physics 85 (18), 184304, 2012 | 36 | 2012 |
| Correlation of octahedral distortion with vibrational and electronic properties of LaFe1-xTixO3 nanoparticles EG Rini, A Paul, M Nasir, R Amin, MK Gupta, R Mittal, S Sen Journal of Alloys and Compounds 830, 154594, 2020 | 35 | 2020 |
| Suppression of antiferroelectric state in NaNbO3 at high pressure from in situ neutron diffraction SK Mishra, MK Gupta, R Mittal, SL Chaplot, T Hansen Applied Physics Letters 101 (24), 2012 | 34 | 2012 |
| Ab initio molecular dynamics study of 1-D superionic conduction and phase transition in β-eucryptite B Singh, MK Gupta, R Mittal, SL Chaplot Journal of Materials Chemistry A 6 (12), 5052-5064, 2018 | 33 | 2018 |
| Anomalous Thermal Expansion, Negative Linear Compressibility and High-Pressure Phase Transition in ZnAu2 (CN) 4: Neutron Inelastic Scattering and Lattice Dynamics Studies MK Gupta, B Singh, R Mittal, M Zbiri, AB Cairns, AL Goodwin, H Schober, ... arXiv preprint arXiv:1705.10215, 2017 | 33 | 2017 |
| Liquid-like dynamics in a solid-state lithium electrolyte J Ding, MK Gupta, C Rosenbach, HM Lin, NC Osti, DL Abernathy, ... Nature Physics 21 (1), 118-125, 2025 | 32 | 2025 |
| Anomalous lattice behavior of vanadium pentaoxide (V2O5): X-ray diffraction, inelastic neutron scattering and ab initio lattice dynamics B Singh, MK Gupta, SK Mishra, R Mittal, PU Sastry, S Rols, SL Chaplot Physical Chemistry Chemical Physics 19 (27), 17967-17984, 2017 | 31 | 2017 |
| Raman and ab initio investigation of negative thermal expansion material TaVO5: Insights into phase stability and anharmonicity NP Salke, MK Gupta, R Rao, R Mittal, J Deng, X Xing Journal of Applied Physics 117 (23), 2015 | 31 | 2015 |
R MittalBhabha Atomic Research CentreVerified email at barc.gov.in
