Phonons and anomalous thermal expansion behaviour in crystalline solids R Mittal, MK Gupta, SL Chaplot Progress in Materials Science 92, 360-445, 2018 | 138 | 2018 |
Structural and electrical properties of layered perovskite type Pr 2 Ti 2 O 7: 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 | 58 | 2015 |
Fast Na diffusion and anharmonic phonon dynamics in superionic Na3PS4 ZHOD Mayanak K. Gupta, Jingxuan Ding, Naresh C. Osti, Douglas L. Abernathy ... Energy & Environmental Science, 2021 | 49 | 2021 |
Phase transitions and thermodynamic properties of yttria, YO: 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 84 (9), 094301, 2011 | 49 | 2011 |
Negative thermal expansion in cubic ZrW 2 O 8: Role of phonons in the entire Brillouin zone from ab initio calculations MK Gupta, R Mittal, SL Chaplot Physical Review B 88 (1), 014303, 2013 | 48 | 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 | 44 | 2014 |
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 | 35 | 2022 |
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 | 32 | 2023 |
Lattice dynamics and thermal expansion behavior in the metal cyanides M CN (M= Cu, 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 | 31 | 2016 |
Vibrational properties and phase transitions in II–VI materials: lattice dynamics, ab initio studies and inelastic neutron scattering measurements T Basak, MN Rao, MK Gupta, SL Chaplot Journal of Physics: Condensed Matter 24 (11), 115401, 2012 | 30 | 2012 |
Inelastic neutron scattering studies of phonon spectra, and simulations of pressure-induced amorphization in tungstates A W O 4 (A= Ba, Sr, Ca, and Pb) P Goel, MK Gupta, R Mittal, S Rols, SN Achary, AK Tyagi, SL Chaplot Physical Review B 91 (9), 094304, 2015 | 28 | 2015 |
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 | 28 | 2012 |
Phonon instability and mechanism of superionic conduction in Li 2 O MK Gupta, P Goel, R Mittal, N Choudhury, SL Chaplot Physical Review B 85 (18), 184304, 2012 | 28 | 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 | 27 | 2018 |
Anomalous lattice behavior of vanadium pentaoxide (V 2 O 5): 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 | 27 | 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 | 27 | 2015 |
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 | 24 | 2020 |
Phonon dynamics and inelastic neutron scattering of sodium niobate SK Mishra, MK Gupta, R Mittal, M Zbiri, S Rols, H Schober, SL Chaplot Physical Review B 89 (18), 184303, 2014 | 23 | 2014 |
Spin-phonon coupling in K 0.8 Fe 1.6 Se 2 and KFe 2 Se 2: Inelastic neutron scattering and ab initio phonon calculations R Mittal, MK Gupta, SL Chaplot, M Zbiri, S Rols, H Schober, Y Su, ... Physical Review B 87 (18), 184502, 2013 | 23 | 2013 |
Anomalous thermal expansion, negative linear compressibility, and high-pressure phase transition in : Neutron inelastic scattering and lattice dynamics … MK Gupta, B Singh, R Mittal, M Zbiri, AB Cairns, AL Goodwin, H Schober, ... Physical Review B 96 (21), 214303, 2017 | 22 | 2017 |