Publications

1. Ab-Initio Insights into Structural, Optoelectronic, and Mechanical Properties of YTlX2 (X= S, Se, Te) — Journal not provided
2. Mn-Pr doped BFO/GNPs nanocomposite as an efficient electrode material — Journal not provided
3. An Ab-initio Investigation of LiBeX (X= Sb, Bi) Semiconductors For Opto-electronic Applications — Journal not provided
4. DFT based comparative study of physical properties of Y3AlC3, YAl3C3 and Y3AlC carbides — Journal not provided
5. Ab-initio investigation of structural, electronic, magnetic and thermodynamic properties of ErX (X= N, P, As and Sb) compounds — Journal not provided
6. Structure, electronic, mechanical and optical properties of ternary YAl3C3 carbide — Journal of Solid State Chemistry
7. OLCAO based Electronic Structure Calculations and Optical Properties of Ni3Ga Intermetallic Alloy System — Chinese Journal of Physics
8. Electronic structure, mechanical, and optical properties of CaO·Al2O3 system: a first principles approach — Indian Journal of Physics
9. Electronic structure, mechanical and optical properties of TiAl3 (L12 & D022) via first-principles calculations — Chinese Journal of Physics
10. Ab initio Study of CoAsX (X= Ti, Zr, Hf) Compounds With Promising Properties for Optoelectronic Applications — physica status solidi (b)
11. First-principles calculations to investigate structural, electronic, optical, and elastic properties of RbBaX (X= P, As, Sb, Bi) alloys for optoelectronic applications — Journal of Physics and Chemistry of Solids
12. Investigation of structural, electronic, phonon, optical and mechanical properties of CoBiX (X= Ti, Zr) direct bandgap semiconductors — Materials Science in Semiconductor Processing
13. Investigation of dielectric and optical properties of structurally modified bismuth ferrite nanomaterials — Ceramics International
14. Investigation of structural, spectral, and dielectric properties of CdSubstituted NiCoPr nano ferrites — Journal of Materials and Physical Sciences
15. Dielectric, XPS, and ferromagnetic relaxation studies of Ho-substituted polycrystalline magnetic oxide materials — Ceramics International
16. Exploring the physical attributes of NaCaX (X = As, Sb) semiconductors by first principles calculations — European Physical Journal Plus
17. Multifunctional potential of NiGeX (X= Ti, Zr, Hf) compounds: a first-principles investigation of structural, vibrational, and optoelectronic properties — Materials Chemistry and Physics
18. First-principles investigation of physical properties of transition metal-based ternary TM5Si3C (TM= Nb, Mo, Ta, W) silicides of nowotny phase — Journal of Physics and Chemistry of Solids
19. Unveiling the robustness of half-metallicity under strain effects of CoVYZ (Z= Si, Ge, Sn) alloys — Journal of Magnetism and Magnetic Materials
20. Comprehensive and comparative density functional theory based study of LiZnZ (Z= Sb, Bi) compounds via GGA, WC and mBJ schemes — Indian Journal of Physics
21. Understanding the properties of novel ternary LiXN2 (X= V, Nb) nitrides for energy harvesting applications: A first-principles study — Materials Science in Semiconductor Processing
22. First-principles study of structural, electronic, mechanical, optical, thermodynamic and thermoelectric properties of ternary ZnSnN2 and ZnMoN2 nitrides — Materials Science in Semiconductor Processing
23. First-Principles Calculations of LiYX (X= C, Si, Ge) Ternary Half-Heusler Alloys: A Suitable Candidates for High-Temperature Thermoelectric Applications — JOURNAL OF NANOSCOPE (JN)
24. First-principles investigation of the physical properties of XRhSe2 (X = K, Rb, Cs) delafossites — European Physical Journal Plus
25. Multifunctional spinel ZnB2O4 (B= Cr, Mn, Fe) oxides for energy harvesting applications: A first-principles study — Journal of Physics and Chemistry of Solids
26. First-principles insights into LiXYSn (X= La, Lu; Y= Ni, Pd) compounds: promising narrow band gap semiconductors — Journal of Computational Electronics
27. Exploring the Physical Properties of LiBeX (X= Sb, Bi) Compounds via Ab Initio Approach — physica status solidi (b)
28. Investigation of the Physical Attributes of Sr2GeCrO6, Sr2MgMoO6, Ba2MgMoO6, Ba2ZnMoO6, and Ba2HgWO6 Double Perovskite Oxides — Energy Technology
29. Investigation of structural, electronic, elastic, magnetic and thermodynamic properties of antiperovskites xcrh3 (x= cd, ta, w, re, os, ir, pt, au, hg, ce, pr, nd, pm, sm, eu, tb) — Physica B: Condensed Matter
30. Structural, electronic, bonding and optical properties of LiBaPO4: A comparative study of monoclinic and trigonal phases — Physica Scripta
31. Structural and electronic effects of M-and X-site substitution in M4Ag2BiX9 (M= Cs, Rb; X= Br, I) layered Zintl halides — Journal of Molecular Graphics and Modelling
32. Structural stability, electronic structure, mechanical and optical properties of MAX phase ternary Mo2Ga2C, Mo2GaC and Mo3GaC2 carbides — Journal of Materials Research and Technology
33. Structural, electronic, magnetic and optical properties of AB2O4 (A= Ge, Co and B= Ga, Co) spinel oxides — Materials Chemistry and Physics
34. Understanding the structural, electronic, magnetic and optical properties of spinel MFe2O4 (M= Mn, Co, Ni) ferrites — Ceramics International
35. First-Principles Study on the Structural, Mechanical, Electronic Structure, Thermal, and Thermophysical Properties of XS (X= Ge, Sn, Pb) Monochalcogenides — Journal of Electronic Materials
36. Half-metallic ferromagnetism in new half-Heusler compounds: an ab initio study of CrTiX (X= Si, Ge, Sn, Pb) — Journal of Superconductivity and Novel Magnetism
37. Spin-polarized calculations of structural, electronic and magnetic properties of Half Heusler alloys FeVX (X= Si, Ge, Sn) using Ab-initio method — Materials Science in Semiconductor Processing
38. Cd-Zn-Ni ferrites/GNP nanocomposite electrode for high-performance supercapacitors — Ceramics International
39. Synthesis, microstructure, and electromagnetic behavior of graphene nanoplatelets/CZCF ferrite nanocomposites — Synthetic Metals
40. Study of the structural, electronic and magnetic properties of ScFeCrT (T= Si, Ge) Heusler alloys by first principles approach — Journal of Magnetism and Magnetic Materials
41. Structural stability, electronic and magnetic behaviour of spin-polarized YCoVZ (Z= Si, Ge) and YCoTiZ (Z= Si, Ge) Heusler alloys — Materials Chemistry and Physics
42. Investigation of structural, electronic and magnetic properties of 1: 1: 1: 1 stoichiometric quaternary Heusler alloys YCoCrZ (Z= Si, Ge, Ga, Al): An ab-initio study — Journal of Magnetism and Magnetic Materials
43. DFT based structural, electronic and optical properties of B1−xInxP (x= 0.0, 0.25, 0.5, 0.75, 1.0) compounds: PBE-GGA vs. mBJ-approaches — Chinese Journal of Physics
44. Structural stability, mechanical, electronic and magnetic behaviour of quaternary ScNiCrX (X= Al, Ga) Heusler alloys under pressure — Materials Chemistry and Physics
45. Study of the structural, mechanical, electronic and magnetic properties of quaternary YFeCrX (X= Al, Ga, In, Si, Ge, Sn, P, As, Sb) Heusler alloys — Journal of Magnetism and Magnetic Materials
46. Structural, electronic, elastic, mechanical, magnetic and thermophysical insights of XCNi3 (X= Sc, Ti, V, Cr, Mn, Fe, Co and Cu) novel anti-perovskites — Materials Science in Semiconductor Processing
47. Investigation of the Physical Properties of XCRh3 (X= Ti, V, Cr, Mn, Fe, Ni, Cu, Zn, Zr, Nb, Mo, Tc, Ru, Pd, Ag) Inverse Perovskites from First Principles — Journal of Electronic Materials
48. First principles calculations of the properties of Sr3In2As4 and Eu3In2As4 Zintl phases — Journal of Materials Science
49. Novel 1:1 stoichiometric rare-earth HoX (X Pd, Ag and Cd) intermetallic compounds: DFT-based study — Bulletin of Materials Science
50. Structural, phononic, opto-electronic and elasto-mechanical properties of LiXBe (X= N, P) half Heusler compounds — Materials Science in Semiconductor Processing
51. First-principles calculations to investigate Structural, mechanical, electronic, magnetic and thermoelectric properties of MRh2O4 (M= Mg, Mn, Cd) spinel oxides — Journal of Magnetism and Magnetic Materials
52. First-principles calculations to investigate the structural, electronic, magnetic and thermoelectric properties of ARh2O4 (A= Co, Ni, Cu, Zn) oxides — Journal of Magnetism and Magnetic Materials
53. First-principles calculations on electronic, mechanical and optical properties of ScMC2 (M= Ti, V, Cr, and Mn) ternary carbides — Physica B: Condensed Matter
54. First-principles calculations of ScMC2 (M= Fe, Co, Ni, Cu) ternary carbides: A suitable candidate for shielding purpose — Materials Today Communications
55. Detailed DFT based exploration on spin-gapless features of IrCoNbX (X= Al, Ga, In) alloys — Journal of Magnetism and Magnetic Materials
56. First-principles investigations of GeO, SnO, and PbO binary oxides: Structural, mechanical, thermophysical, and electronic insights — Computational and Theoretical Chemistry
57. Electronic structure, bonding behavior and optical properties of (HfC)mAl4C3 (m= 1, 2, 3) carbides — Journal of Alloys and Compounds
58. Ab initio electronic structure, bonding and optical properties of two relatively new ceramics Hf2Al3C4 and Hf3Al3C5: a comparative study — Chinese Journal of Physics
59. First-principles structural, electronic, optical and bonding properties of scandium-based ternary indide system Sc5T2In4 (T = Ni, Pd, Pt) — Bulletin of Materials Science
60. Ab initio study of electronic structure, bonding and optical properties of ternary A2B2In (A= Ca, Eu and B= Pd, Pt) indides — Materials Today Communications
61. A comprehensive Ab-Initio study of ternary XCo2S4 (X= Mg, Zn) chalcogenides — Materials Science in Semiconductor Processing