Details

CONTACT ADDRESS

Dept of Physics, Pachhunga University College

Aizawl-796001

Email:dibya@pucollege.edu.in or dibyaprakashrai@gmail.com

EDUCATIONAL QUALIFICATION

B.Sc. (Physics), St. Joseph's College Darjeeling

M.Sc. (Physics) Mizoram University, Aizawl

Ph.D (Physics), Mizoram University, Aizawl

Postdoc , Computational Science Research Center (CSRC) Beijing China.

Research Area: Comutational Condensed Matter Physics

Subject Taught: Wave Optics, Solid State Physics, Thermal Physics, Quantum Mechanics

Research Publications (5  years):

1. Ferromag-netism in d^0 Binary Compounds MC (M = Be, Mg, Ca, Sr, Ba and Ra): A Modified Becke Johnson Potential Study, J. Adv. Phys. 5, 1-7, (2016).

2. Energy band structure, elastic and optical constants of the filled skutterudite CeRu4As12, Mat. Sc. Sem. Pro. 46, 10-16 (2016).

3. Structural, electronic and magnetic properties of Fe2-based full Heusler alloys: A first principle study, J. Magn. Magn. Mat. 407, 167-174 (2016).

4. Electronic, optical and thermoelectric properties of PrMO3 (M=Al,Ga,In) from rst-principles calculations, RSC Adv., 6, 59988 (2016).

5. FP-LAPW calculations of the elastic, electronic and thermoelectric properties of the filled skutterudite CeRu4Sb12, J.Sol. Stat. Chem. 240, 126132 (2016).

6. A first principles study of Nd doped cubic LaAlO3 perovskite: mBJ+U study, J. Magn. Magn. Mater. 417, 313320 (2016).

7. GGA+U and mBJ+U study of the optoelectronic, magnetic and thermoelectric properties of the SmAlO3 compound with spinorbit coupling, Int. J. Mod. Phys. B 30, 1650078 (2016).

8. A systematic study of LaAlO3 with variation of Nd doping, case of band gap tuning: A first principles method, Mod. Phys. Lett. B 30, 1650028 (2016).

9. Band-gap engineering of La1-xNdxAlO3 (x = 0, 0.25, 0.50, 0.75, 1) perovskite using density functional theory: A modified Becke Johnson potential study, Chin. Phys. B 25, 067101 (2016).

10. Electronic and optical properties of cubic SrHfO3 at dierent pressures: A first principles study, Mat. Chem. Phys. 11/2016; 186. (2016).

11. Electronic, optical and thermoelectric properties of bulk and surface (001) CuInTe2: A first principles study" J. Alloys Compd. 699:1003-1011 (2017),

12. The electronic and thermoelectric properties of a d2/d0 type tetragonal half-Heusler compound, HfSiSb: a FP-LAPW method, Mat. Res. Exp. 10/2017; 4(10)., DOI:10.1088/2053-1591/aa8f6e

13. Origin of the optical anisotropy and the electronic structure of Ru-based double perovskite oxides: DFT and XPS study, RSC Adv. 09/2017; 7(69):43531.,

DOI:10.1039/c7ra07712b

13. Thermoelectric properties of tetragonal half-Heusler compounds, TiXSb (X = Ge, Si): A probe from Density Functional Theory (DFT), J. Alloys Compd. 08/2017; 726., DOI:10.1016/j.jallcom.2017.08.065

14. Structural, electronic, mechanical, and thermoelectric properties of a novel half Heusler compound HfPtPb, J. Appl. Phys. 07/2017; 122(4):045110., DOI:10.1063/1.4996648

15. Electronic and magnetic properties of Fe atomic chain and Fe atomic plane: An ab-initio study, Int. J. Nano Sc. 06/2017; 16(3):1750024., DOI:10.1142/S0219581X17500247

16. Effects of hydrogen and nitrogen impurities on electronic, structural and optical properties of 2D ZnS graphene based, J. Mat. Sc. 05/2017; 52(10):1-13., DOI:10.1007/s10853-017-1198-z

17. Electronic, optical, and thermoelectric properties of Fe2+xV1-xAl AIP Adv. 04/2017; 7(4):045118., DOI:10.1063/1.4982671

18. Electronic structure and X-ray spectroscopy of Cu2MnAl1-xGax" J. Appl. Phys. 123, 161509 (2018), DOI:10.1063/1.4996650

19. Band gap modulation of mono and bi-layer hexagonal ZnS under transverse electric field and bi-axial strain: A first principles study" Physica B 531, 90-94

(2018) DOI:10.1016/j.physb.2017.12.023

20. Preparation and characterization of (CuInTe2)1-x(TaTe)x solid solutions, J. Alloys. Compd 747, 176-188 (2018).

21. Electronic, Elastic and X-ray spectroscopic properties of direct and inverse full Heusler compounds Co2FeAl and Fe2CoAl, promising materials for spintronic applications: DFT+U approach" RSC J. Mat. Chem. C, 6, 10341-10349 (2018) DOI:10.1039/C8TC02530D.

(2019).

22. Study of the Fe2CoAl Heusler alloy films growth on the R-plane sapphire substrate by scanning probe microscopy. Ferroelectrics 541(1):79 (2019).

23. Effects of electron-correlation, spin-orbit coupling, and modified Becke-Johnson potential in double perovskites SrLaBB'O6 (B= Ni, Fe; B'= Os, Ru), Comp.Mat. Sci. 170, 109168 (2019).

24. Electronic properties and Low Lattice thermal conductivity (κl) of mono-layer (ML) MoS2: FP-LAPW incorporated with spin-orbit coupling (SOC), RSC Advances 10, 18830-18840 (2020).

25. Perpendicular magnetocrystalline anisotropy energy (MAE) of 111-surface slab of Fe2CoAl, Mater. Res. Express 7 064003 (2020).

PROJECTS

1. Project Title : A rst principles study of perovskite compounds, a probe for solar cell materials.

Sponsor: UGC-BSR,FRPS, Start-Up Grant Lett.No.F.30-52/2014(BSR)

Budget: Rs.6,00,000/-

Status: 21/03/2016-20/03/2018 (Completed)

2. Project Title :Modeling and experimental investigation of half-metallic epitaxial films based on Heuser alloys for spin-injection Terahertz and Far-Infrared Photonics.

Sponsor: DST (India) & RFBR (Russia) Joint project (No. DST/INT/RUS/RFBR/P-264).

Budget: Rs. 28,09,120/-

Status: (Completed).

3. Project Title :Designing and investigation of alkali metal decorated graphene and boron nitride

(BN) nanostructure for hydrogen storage: A first-principles study

Sponsor: DST-SERB Govt. of India (File No: CRG/2018/000009).

Budget: Rs. 34.91 lakhs/-

Status: Ongoing from April 2019.