Dr. Dibya Prakash Rai

Department of Physics  

Mizoram University, India

Associate Professor

Email: dibyaprakashrai@gmail.com

Qualifications

2013  Ph.D., Ph.D. under the supervision of Prof. R. K. Thapa, Mizoram University, Mizoram,Aizawl, India

2000  MSc, Mizoram University, Mizoram, Aizawl-796004, India

2005  BSc, St. Joseph's College (North Point) Darjeeling, India

Publications (Selected)

1. D. P. Rai, et al. N-doped direction-dependent electronic and mechanical properties of single-walled carbon nanotube (SWCNT) from a _rst-principles density functional theory (DFT) and MD-simulation Journal of Molecular Graphics and Modelling 111 108111 (2022).
2. D. P. Rai, et al. Electronic and optical properties of cubic bulk and ultrathin surface [001] slab of CsPbBr3. Surfaces and Interfaces 30 101829 (2022).
3. D. P. Rai, et al. Study of electronic and mechanical properties of single walled Carbon nanotube (SWCNT) via substitutional Boron doping in zigzag and armchair pattern Surfaces and Interfaces 29 101815 (2022).
4. D. P. Rai, et al. Ab-initio investigations for structural, mechanical, optoelectronic, and ther-moelectric properties of Ba2SbXO6 (X=Nb, Ta) compounds Journal of Alloys and Compounds 893 162332 (2022).
5. D. P. Rai, et al. Surface half metallicity and thermodynamic stability of 001-plane Ti2XSi (X= Mn, Co) Heusler alloys (HAs): A DFT approach Surfaces and Interfaces 28 101602 (2022).
6. D. P. Rai, et al. Theoretical Study of ZnS Monolayer Adsorption Behavior for CO and HF Gas Molecules. ACS Omega (2022) DOI: 10.1021/ACSOMEGA.2C05064.
7. D. P. Rai, et al. Bilayer Heterostructure of Boron Nitride and Graphene for Hydrogen Storage: A First-Principles Study. Energy & Fuels (2022) DOI: 10.1021/ACS.ENERGYFUELS.2C02698.
8. D. P. Rai, et al. Ab initio calculations of Electronic, Magneto-Optical, and Transport Properties of the Ga1􀀀2xSmxEuxN alloy (x=0.0625) by GGA, GGA plus U, and TB-mBj approximations. Indian Journal of Physics (2022) DOI: 10.1007/S12648-021-02230-X.
9. D. P. Rai, et al. Pressure-Induced Enhanced Optical Absorption in Sulvanite Compound Cu3TaX4 (X = S, Se, and Te): An ab Initio Study. ACS Omega (2022) DOI: 10.1021/AC-SOMEGA.1C06795.
10. D. P. Rai, et al. Electronic, mechanical, optical and piezoelectric properties of glass-likesodium silicate (Na2SiO3) under compressive pressure. RSC Advances (2022) DOI:10.1039/D2RA01125E.
11. D. P. Rai, et al. Origin of strong Coulomb interactions in borophene: First-principles Wannier function analysis. Journal of Applied Physics (2022) DOI:10.1063/5.0088860.
12. D. P. Rai, et al. Electronic and mechanical properties of (6,1) single-walled carbon nanotubes with di_erent tube diameters: a theoretical study. Carbon letters (2022) DOI: 10.1007/S42823-021-00274-X
13. D. P. Rai, et al. Ab initio Insight of the Electronic, Structural, Mechanical and Optical Properties of X3P2 (X= Mg, Ca) from GGA and Hybrid Functional (HSE06). Journal of Superconductivity and Novel Magnetism (2022) DOI:10.1007/S10948-021-06009-3.
14. D. P. Rai, et al. Electronic, magnetic, optical and thermoelectric properties of co-doped Sn12xMnxAxO2 (A = Mo, Tc): a _rst principles insight. RSC Advances (2022) DOI:10.1039/D2RA04499D.
15. D. P. Rai, et al. First principles insight of silicene-ZnS-silicene trilayer heterostructure Physica Scripta 98, 065928 (2023).
16. D. P. Rai, et al. A Thorough Investigation of Electronic, Optical, Mechanical, and Thermodynamic Properties of Stable Glasslike Sodium Germanate under Compressive HydrostaticPressure: Ab Initio study ACS Omega 8, 16869-16882 (2023).
17. D. P. Rai, et al. Study of electronic, magneto-optical and transport properties of double perovskite Ca2XMnO6(X=Ti,Cr) under uniaxial compressive strain by using a DFT method Modern Physics Letters B 37, 2350026 (2023).
18. D. P. Rai, et al. Giant intrinsic magnetoresistance in spin-_ltered tunnel junctions with ferrimagnetic electrode Physical Review B, 107, 155305 (2023).
19. D. P. Rai, et al. A theoretical investigation of the lead-free double perovskites halides Rb2XCl6 (X=Se, Ti) for optoelectronic and thermoelectric applications Journal of Computational Chemistry 44, 1690-1703 (2023).
20. D. P. Rai, et al. Thermal and Dynamic Radiation in the THz Range Under Spin Current Injection in Magnetic Junctions SPIN 13, 2350010 (2023).
21. D. P. Rai, et al. Engineering of Hydrogenated (6, 0) Single-Walled Carbon Nanotube under Applied Uniaxial Stress: A DFT-1/2 and Molecular Dynamics Study ACS Omega 8 6895- 6907 (2023).

Personal Website:

https://www.researchgate.net/profile/Dibya_Rai

https://example.academia.edu/DibyaPrakashRai/CurriculumVitae

https://pucollege.edu.in/departments/faculty-details/98

https://scholar.google.co.in/citations?user=rQvHHw8AAAAJ&hl=en