A Halide‐Based Perovskite CsGeX3 (X = Cl, Br, and I) for Optoelectronic and Piezoelectric Applications L Celestine, R Zosiamliana, S Gurung, SR Bhandari, A Laref, S Abdullaev, ... Advanced Theory and Simulations 7 (1), 2300566, 2024 | 21 | 2024 |
Electronic, mechanical, optical and piezoelectric properties of glass-like sodium silicate (Na 2 SiO 3) under compressive pressure R Zosiamliana, B Chettri, G Abdurakhmanov, MP Ghimire, DP Rai RSC advances 12 (20), 12453-12462, 2022 | 15 | 2022 |
Theoretical Investigation of Lead Perovskite PbXO3 (X = Ti, Zr, and Hf) for Potential Thermoelectric Applications: Hybrid-DFT Approach Z Renthlei, L Celestine, L Kima, L Zuala, Z Mawia, B Chettri, YT Singh, ... Energy & Fuels 37 (24), 19831-19844, 2023 | 14 | 2023 |
Bilayer heterostructure of boron nitride and graphene for hydrogen storage: A first-principles study B Chettri, PK Patra, Z Renthlei, A Laref, DP Rai Energy & Fuels 36 (21), 13307-13316, 2022 | 14 | 2022 |
Hybrid-DFT study of halide perovskites, an energy-efficient material under compressive pressure for piezoelectric applications L Celestine, R Zosiamliana, L Kima, B Chettri, YT Singh, S Gurung, ... Journal of Physics: Condensed Matter 36 (32), 325501, 2024 | 12 | 2024 |
Electronic, mechanical and piezoelectric properties of glass-like complex Na 2 Si 1− x Ge x O 3 (x= 0.0, 0.25, 0.50, 0.75, 1.0) R Zosiamliana, B Chettri, GSL Fabris, JR Sambrano, S Abdullaev, ... RSC advances 12 (42), 27666-27678, 2022 | 11 | 2022 |
A thorough investigation of electronic, optical, mechanical, and thermodynamic properties of stable glasslike sodium germanate under compressive hydrostatic pressure: Ab Initio … Z Renthlei, M Prasad, J Sivakumar, L Zuala, L Pachuau, YR Devi, ... ACS omega 8 (19), 16869-16882, 2023 | 7 | 2023 |
Engineering of hydrogenated (6, 0) single-walled carbon nanotube under applied uniaxial stress: a DFT-1/2 and molecular dynamics study YT Singh, B Chettri, L Kima, Z Renthlei, PK Patra, M Prasad, J Sivakumar, ... ACS omega 8 (7), 6895-6907, 2023 | 7 | 2023 |
First-principles investigation of the electronics, optical, mechanical, thermodynamics and thermoelectric properties of Na based Quaternary Heusler alloys (QHAs) NaHfXGe (X= Co … R Zosiamliana, L Kima, Z Mawia, L Zuala, G Abdurakhmanov, DP Rai Journal of Physics: Condensed Matter 36 (6), 065501, 2023 | 6 | 2023 |
Giant intrinsic magnetoresistance in spin-filtered tunnel junctions with ferrimagnetic electrode Lalrinkima, SM Kastuar, L Zadeng, R Zosiamliana, B Chettri, YT Singh, ... Physical Review B 107 (15), 155305, 2023 | 5 | 2023 |
In-plane hybrid structure of h-BN and graphene for hydrogen storage application: a first-principles density functional theory study B Chettri, PK Patra, YT Singh, Z Renthlei, Lalrinkima, L Pachuau, ... Energy & Fuels 38 (6), 5580-5592, 2024 | 4 | 2024 |
An ab initio study of electronic, mechanical, and piezoelectric properties of the trigonal, tetragonal and cubic phases of lead-free perovskite SnBO3 (B= Ti, Zr, Hf) B Lalroliana, R Zosiamliana, DP Rai, RC Tiwari, L Vanchhawng, ... Materials Today Communications 38, 108139, 2024 | 2 | 2024 |
Comprehensive investigation of structural, magnetic, electronic, optical, mechanical, and piezoelectric properties of ATiO3 (A= Mn, Fe, Ni) compounds for sustainable energy … B Lalroliana, R Zosiamliana, DP Rai, RC Tiwari Journal of Physics: Condensed Matter 36 (48), 485901, 2024 | 1 | 2024 |
Electronic, mechanical, optical and piezoelectric properties of glass-like sodium silicate (Na₂SiO₃) under compressive pressure R Zosiamliana, B Chettri, G Abdurakhmanov, MP Ghimire, DP Rai | 1 | 2022 |
A review on perovskite materials for photovoltaic applications L Sanga, C Lalengmawia, Z Renthlei, ST Chanu, L Hima, NS Singh, ... Next Materials 7, 100494, 2025 | | 2025 |
A systematic investigation of Li-and Na-based perovskite hydrides as potential hydrogen storage materials R Zosiamliana, B Lalroliana, L Celestine, L Hima, ST Chanu, L Zuala, ... International Journal of Hydrogen Energy 105, 748-758, 2025 | | 2025 |
The effect of on-site and inter-site Hubbard correction in the thermoelectric properties of Quaternary Heusler Alloys NaHfXSn (X= Co, Rh, Ir): A First-Principles Study R Zosiamliana, L Celestine, S Gurung, YR Devi, NS Singh, A Yvaz, ... New Journal of Chemistry, 2025 | | 2025 |
A comprehensive study of electronic, optical, mechanical and piezoelectric properties of Li-based tin-halide perovskites using GGA, meta-GGA and HSE06 methods C Lalengmawia, Z Renthlei, S Gurung, L Zuala, L Pachuau, NS Singh, ... New Journal of Chemistry, 2025 | | 2025 |
Structural phase transition, electronic and mechanical properties of NaVO3: a density functional theory study L Celestine, R Zosiamliana, S Gurung, SR Bhandari, A Banik, DP Rai Advances in Nanostructures, 231-250, 2025 | | 2025 |
Pressure-sensitive germanate glass-Li2GeO3, a multifunctional energy material: a theoretical study R Zosiamliana, L Celestine, L Zuala, B Chettri, Z Mawia, ... High Pressure Research, 1-28, 2024 | | 2024 |