Research Publications For Year 2017

  1. Electron correlation and spin-orbit coupling effects in scandium intermetallic compounds ScTM (TM= Co, Rh, Ir, Ni, Pd, Pt, Cu, Ag and Au): International Journal of Modern Physics B 31, (2017).

  2. Hyperfine field, electric field gradient, quadrupole coupling constant and magnetic properties of challenging actinide digallide. Physica B: Condensed Matter 526, (2017).

  3. Electric field gradient analysis of RIn3 and RSn3 compounds (R= La, Ce, Pr and Nd): Intermetallics 91, (2017).

  4. First-principles study of structural, electronic, magnetic and thermoelectric properties of the cubic mono-pnictides of thorium ThPn (Pn= Sb and Bi): Computational Condensed Matter 13, (2017).

  5. 125Te NMR shielding and optoelectronic spectra in XTe3O8 (X= Ti, Zr, Sn and Hf) compounds: Ab initio calculations: Journal of Molecular Structure 148, (2017).

  6. Structural, electronical and thermoelectric properties of CdGa2S4 compound under high pressures by mBJ approach: Journal of Materials Science: Materials in Electronics 28, (2017).

  7. First-principle studies of the optoelectronic properties of ASnF3 (A= Na, K, Rb and Cs): International Journal of Modern Physics B 31, (2017).

  8. Effects of cobalt substitution on the physical properties of the perovskite strontium ferrite: Materials Chemistry and Physics 196, (2017).

  9. Role of the crystal lattice constants and band structures in the optoelectronic spectra of CdGa2S4 by DFT approaches: Zeitschrift für anorganische und allgemeine Chemie 643, (2017).

  10. Structural, mechanical and optoelectronic properties of Y2M2O7 (M= Ti, V and Nb) pyrochlores: a first principles study: Journal of Electronic Materials 46, (2017).

  11. Structural, electronic and optical properties of CsPbX3 (X= Cl, Br, I) for energy storage and hybrid solar cell applications: Journal of Alloys and Compounds 705, (2017).

  12. Comparative study of thermoelectric properties of Co based filled antimonide skutterudites with and without SOC effect: Computational Materials Science 131, (2017).

  13. NMR calculations in binary metal iodides by PBE-GGA, YS-PBE0 and mBJ exchange correlation potentials. Solid state nuclear magnetic resonance, 82, (2017).

  14. Effects of chemical potential on the thermoelectric performance of alkaline-earth based skutterudites (AFe4Sb12, ACa, Sr and Ba): Journal of Alloys and Compounds 694, (2017).

  15. Metal mono-chalcogenides ZnX and CdX (X= S, Se and Te) monolayers: Chemical bond and optical interband transitions by first principles calculations: Physics letters A 381, (2017).

  16. First principle studies of electronic and magnetic properties of Lanthanide-Gold (RAu) binary intermetallics: Journal of Magnetism and Magnetic Materials 422, (2017).

  17. Thermoelectric and phononic properties of (Gd, Tb) MnO3 compounds: DFT calculations: Journal of Alloys and Compounds 690, (2017)

  18. Strain engineering of electronic structures and photocatalytic responses of MXenes functionalized by oxygen: Physical Chemistry Chemical Physics 19, (2017).