| Electronic, elastic and X-ray spectroscopic properties of direct and inverse full Heusler compounds Co 2 FeAl and Fe 2 CoAl, promising materials for spintronic applications: a … L Siakeng, GM Mikhailov, DP Rai Journal of Materials Chemistry C 6 (38), 10341-10349, 2018 | 47 | 2018 |
| Induced ferromagnetism in bilayer hexagonal Boron Nitride (h-BN) on vacancy defects at B and N sites B Chettri, PK Patra, TV Vu, CQ Nguyen, A Yaya, KO Obodo, NTT Tran, ... Physica E: Low-dimensional Systems and Nanostructures 126, 114436, 2021 | 27 | 2021 |
| Strain dependence of electronic properties and effective masses of monolayer ZnO from density functional theory L Lalrinkima, L Lahriatzuala, DP Rai, S Srivastava AIP Conference Proceedings 2115 (1), 2019 | 18 | 2019 |
| Electronic, magnetic, vibrational, and X-ray spectroscopy of inverse full-Heusler Fe 2 IrSi alloy CE Ekuma, TC Chibueze, LA Fomin, IV Malikov, L Zadeng, DP Rai Physical Chemistry Chemical Physics 23 (20), 11876-11885, 2021 | 15 | 2021 |
| 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 |
| Pressure dependent half-metallic ferromagnetism in inverse Heusler alloy Fe 2 CoAl: a DFT+ U calculations DP Rai, LA Fomin, IV Malikov, A Sayede, MP Ghimire, RK Thapa, ... RSC advances 10 (73), 44633-44640, 2020 | 13 | 2020 |
| 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 |
| Perpendicular magnetocrystalline anisotropy energy (MAE) of 111-surface slab of Fe2CoAl LA Fomin, IV Malikov, L Zadeng, DP Rai Materials Research Express 7 (6), 064003, 2020 | 9 | 2020 |
| 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 CEE Lalrinkima, S. M. Kastuar, L. Zadeng, R. Zosiamliana, B. Chettri, Y. T ... Physical Review B 107 (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 |
| Surface Segregation in Pt3Nb and Pt3Ti using Density Functional Theory-based Methods KO Obodo, L Kima, AS Adeyinka, DP Rai Advanced Materials and Nano Systems: Theory and Experiment (Part 3), 202-219, 2024 | 1 | 2024 |
| First principles insight of silicene-ZnS-silicene trilayer heterostructure L Chhana, L Kima, RC Tiwari, Z Mawia, DP Rai, NS Singh, YR Devi, ... Physica Scripta 98 (6), 065928, 2023 | | 2023 |
| Electronic, mechanical, optical and piezoelectric properties of glass like sodium silicate (Na 2 SiO 3) under compressive pressure DP Rai, R Zosiamliana, Lalrinkima, B Chettri, G Abdurakhmanov, ... Authorea Preprints, 2022 | | 2022 |
| Surface half metallicity and thermodynamic stability of 001-plane Ti2XSi (X= Mn, Co) Heusler alloys (HAs): a DFT approach Lalrinkima, L Zadeng, L Chhana, L Zuala, DP Rai Surfaces and Interfaces, 101602, 2021 | | 2021 |
| Role of Self-Generated Hubbard U-Value on Fundamental Properties of Cr-Based Full Heusler Alloys Cr 2XAl (X=Ti, Zr, Hf ): A Through First-Principles Investigation K Gopi, R Zosiamliana, L Kima, DP Rai, R Kuppan Available at SSRN 4925962, 0 | | |
Dibya Prakash RaiAssociate Professor Mizoram UniversityVerified email at mzu.edu.in