Peer-reviewed publications:
Mondal, S.K., Das, P.K.*, Mandal, N., Superionic states of P bar 3 brucite [Mg(OH)2] by enhanced proton mobility in high p-T regimes. (Review submitted to Physical Review B)
K. Anjitha., Das, P.K.*, Mandal, N. (2025) Effects of H2O on structural transitions, thermoelastic and electronic properties of Mg2SiO4-olivine phases: Implications for deep-Earth seismic discontinuities, J. Appl. Phys., 138, 115901.
Geng, N., Hilleke, K.P., Belli, F., Das, P.K., Zurek, E., (2024) Superconductivity in CH4 and BH4–Containing Compounds Derived from the High-Pressure Super-hydrides. Materials Today Physics 44, 101443.
Das, P.K.*, Mondal, S.K., Mandal, N., Arya, A., (2023) p-T-dependent structural transformations of Zn-monochalcogenides to switch their semiconductor–metal transition: a DFT study. Appl. Phys. A 129, 497. DOI:10.1007/s00339-023-06777-w
Das, P. K.*, Mondal, S. K., Mandal, N., (2021) First principles prediction of exceptional mechanical and electronic behaviour of Titanite (CaTiSiO5). Materialia 15, 100964. DOI:10.1016/j.mtla.2020.100964
Das P. K*., Mohn C. E., Brodholt J. P., Trønnes R. G., (2020) High pressure silica phase transitions: implications for deep mantle dynamics and silica crystallization in the proto-core. American Mineralogist. DOI: 10.2138/am-2020-7299
Mondal S. K., Das, P. K.*, Mandal, N., Arya, A., (2020) A novel approach to quantify the structural distortions of U/Th snub-disphenoids and their role in zircon to reidite type phase transitions of uranothorite, arXiv: 1907.05115. Journal of Physics: Condensed matter. DOI:10.1088/1361- 648X/ab60e4
Das, P. K.*, Mandal, N., Arya, A., (2017) Effects of cation ordering on the elastic and electronic properties of Mg-Fe silicate phases at high pressures, J. Appl. Phys.122, 225107. DOI: 10.1063/1.5001884
Das, P. K.*, Mandal, N., Arya, A., (2017) Effects of Fe substitution on B3-B1 phase transition and structural, vibrational, and electronic properties of ZnS from DFT calculations, J. Appl. Phys. 121, 08510. DOI: 10.1063/1.4976813
Das, P. K., Chowdhury, A., Mandal, N., Arya, A.* (2016) First-principles characterisation of the pressure-dependent elastic anisotropy of SnO2 polymorphs, Phil. Mag. 96:18, 1861. DOI:10.1080/14786435.2016.1177228
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