All Stories

  1. A first principles study of the Ruddlesden-Popper layered perovskites A2MnO4 (A= Ca, Sr and Ba)

    Article • Physica B Condensed Matter, November 2025, Elsevier

    Dr. Zahid Ali

  2. Structural phase transition and optoelectronic properties of lead-free AgNb1-xTaxO3 (x = 0, 0.5 and 1) perovskite systems

    Article • Journal of the Korean Ceramic Society, June 2025, Springer Science + Business Media

    Dr. Zahid Ali, Dr. Iftikhar Ahmad

  3. Structural stability, optoelectronic properties and solar cell efficiency of the perovskites M2AgInBr6(M=K and Rb)

    Article • International Journal of Modern Physics B, May 2025, World Scientific Pub Co Pte Lt

    Dr. Zahid Ali, Dr. Iftikhar Ahmad

  4. Unveiling 2D Rb3Bi2I6Cl3 and Rb3Bi2I3Cl6 perovskites for optoelectronic, solar cell and photocatalytic applications

    Article • RSC Advances, January 2025, Royal Society of Chemistry

    Dr. Zahid Ali

  5. A first principle study of the structural, electronic, and magnetic phase transitions in perovskite CaCu3Co4O12 via Resubstitution at the Cosite

    Article • Journal of the Korean Ceramic Society, November 2024, Springer Science + Business Media

    Dr. Zahid Ali

  6. DFT study of the brownmillerite-type strontium-based oxygen-deficient perovskites SrTMO2.5 (TM = Mn, Fe, Co and Cu)

    Article • International Journal of Modern Physics B, September 2024, World Scientific Pub Co Pte Lt

    Dr. Zahid Ali

  7. DFT Study of the Antiferromagnetic Barium Ruthenate Triple Perovskites Ba3MRu2O9 (M = Fe, Co, and Ni) for Spintronic Applications

    Article • Journal of Superconductivity and Novel Magnetism, May 2024, Springer Science + Business Media

    Dr. Zahid Ali

  8. Comprehensive DFT exploration of structural, electronic, magnetic and elastic properties of HfM2 (M = Cr, Mn, and Fe) intermetallic compounds

    Article • Physica B Condensed Matter, February 2024, Elsevier

    Dr. Zahid Ali

  9. Photovoltaic properties of halide perovskites for solar cell application with efficiency greater than 18%

    Article • RSC Advances, January 2024, Royal Society of Chemistry

    Dr. Imad Khan, Dr. Zahid Ali

  10. A first-principles study of stabilities, magnetic, electronic, elastic and transport properties of the metal borides TM2B (TM = Mn, Fe, Co and Ni)

    Article • Physica B Condensed Matter, October 2023, Elsevier

    Dr. Zahid Ali

  11. Structural and Magneto-Elastic Properties of the Quadruple Perovskites CaCu3B2Os2O12 (B = Mn-Ni): The Heisenberg Model and DFT Study

    Article • Journal of Electronic Materials, July 2023, Springer Science + Business Media

    Dr. Zahid Ali

  12. DFT Study of the Structural Stability, Electronic, Magnetic, and Elastic Properties of the Binary Intermetallic Compounds AB2 (A = Ti, Zr; B = Cr, Mn and Fe)

    Article • Journal of Electronic Materials, April 2023, Springer Science + Business Media

    Dr. Zahid Ali

  13. Structure, magnetic, opto-electronic and thermoelectric properties of A3In2As4 and A5In2As6 (A = Sr and Eu) Zintl phase compounds

    Article • Journal of Alloys and Compounds, March 2023, Elsevier

    Dr. Zahid Ali

  14. First-principles calculations to investigate physical properties of three magnetic sub lattice CaCu3Mn4-xIrxO12 (x = 0, 2 and 4) system via symmetry evaluation

    Article • Materials Chemistry and Physics, February 2023, Elsevier

    Dr. Iftikhar Ahmad, Dr. Zahid Ali

  15. DFT study of the spin glass and ferrimagnetism in quadruple perovskites CaCu3B2Ir2O12 (B = Mn, Fe, Co, and Ni) for spintronic applications

    Article • Applied Physics A, January 2023, Springer Science + Business Media

    Dr. Zahid Ali

  16. Mechanically Stable Magnetic Metallic Materials for Biomedical Applications

    Article • Materials, November 2022, MDPI AG

    Dr. Zahid Ali

  17. Electronic structure, elastic and magnetic properties of the binary intermetallics RFe2 (R = Eu, Gd and Tb)

    Article • Journal of Computational Electronics, April 2022, Springer Science + Business Media

    Dr. Zahid Ali

  18. New anti-ferromagnetic tri-transition quaternary perovskites for magnetic cloaking and spintronic applications

    Article • Materials Chemistry and Physics, April 2022, Elsevier

    Dr. Zahid Ali

  19. Electronic structure, optical and magnetic properties of double Perovskites La2MTiO6 (M = Co, Ni, Cu and Zn)

    Article • Materials Chemistry and Physics, November 2021, Elsevier

    Dr. Imad Khan, Dr. Iftikhar Ahmad, Dr. Zahid Ali

  20. The effect of potassium insertion on optoelectronic properties of cadmium chalcogenides

    Article • Materials Science in Semiconductor Processing, February 2021, Elsevier

    Dr. Imad Khan, Dr. Iftikhar Ahmad, Dr. Zahid Ali

  21. Structural, electronic, optical and thermoelectric properties in the phases of AgTaO3

    Article • Materials Science in Semiconductor Processing, February 2021, Elsevier

    Dr. Zahid Ali

  22. Electronic structure and magnetic properties of the Mg-rich intermetallic NdNiMg5 by hybrid density functional theory

    Article • Intermetallics, December 2020, Elsevier

    Dr. Imad Khan, Dr. Iftikhar Ahmad, Dr. Zahid Ali

  23. Effects of A-Site cation on the Physical Properties of Quaternary Perovskites AMn3V4O12 (A= Ca, Ce and Sm)

    Article • Materials Chemistry and Physics, November 2020, Elsevier

    Dr. Imad Khan, Dr. Iftikhar Ahmad, Dr. Zahid Ali

  24. Optoelectronic properties of the double perovskites Ba2MM′O6 (M= Sc, Y, La; M′= Nb, Ta) by modified Becke-Johnson potential

    Article • August 2020, SPIE

    Dr. Zahid Ali

  25. Electronic structure and magnetic properties of the quaternary perovskites LnMn3V4O12 (Ln = La, Nd and Gd)

    Article • The Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics, May 2020, Taylor & Francis

    Dr. Iftikhar Ahmad, Dr. Zahid Ali

  26. Effects of Ni Substitution on the Electronic Structure and Magnetic Properties of Perovskite SrFeO3

    Article • Journal of Electronic Materials, March 2020, Springer Science + Business Media

    Dr. Imad Khan, Dr. Iftikhar Ahmad, Dr. Zahid Ali

  27. Theoretical Investigations of Quaternary Semiconductors CsInCdTe3 (Ln = La, Pr, Nd and Sm)

    Article • Journal of Electronic Materials, March 2020, Springer Science + Business Media

    Dr. Imad Khan, Dr. Iftikhar Ahmad, Dr. Zahid Ali

  28. Electronic Structure, Mechanical and Magnetic Properties of the Quaternary Perovskites CaA3V4O12 (A = Mn, Fe, Co, Ni and Cu)

    Article • Journal of Electronic Materials, December 2019, Springer Science + Business Media

    Dr. Imad Khan, Dr. Iftikhar Ahmad, Dr. Zahid Ali

  29. First principles studies of CsLnCdTe3 (Ln = Gd−Tm) for green energy resources

    Article • Computational Condensed Matter, December 2019, Elsevier

    Dr. Imad Khan, Dr. Iftikhar Ahmad, Dr. Zahid Ali

  30. First-principles study of BiFeO3 and BaTiO3 in tetragonal structure

    Article • International Journal of Modern Physics B, August 2019, World Scientific Pub Co Pte Lt

    Dr. Imad Khan, Dr. Iftikhar Ahmad, Dr. Zahid Ali

  31. Structural, optoelectronic and elastic properties of quaternary perovskites CaPd3B4O12 (B = Ti, V)

    Article • International Journal of Modern Physics B, July 2019, World Scientific Pub Co Pte Lt

    Dr. Zahid Ali

  32. First-Principles Study of Perovskite Molybdates AMoO3 (A = Ca, Sr, Ba)

    Article • Journal of Electronic Materials, January 2019, Springer Science + Business Media

    Dr. Imad Khan, Dr. Iftikhar Ahmad, Dr. Zahid Ali

  33. HKUST-1 Supported on Zirconium Phosphate as an Efficient Catalyst for Solvent Free Oxidation of Cyclohexene: DFT Study

    Article • Catalysts, November 2018, MDPI AG

    Dr. Zahid Ali

  34. Theoretical studies of the electronic structure and magnetic properties of aluminum-rich intermetallic alloy Al13Fe4

    Article • International Journal of Modern Physics B, June 2018, World Scientific Pub Co Pte Lt

    Dr. Imad Khan, Dr. Iftikhar Ahmad, Dr. Zahid Ali

  35. First principle studies of structural, magnetic and elastic properties of orthorhombic rare-earth diaurides intermetallics RAu2 (R=La, Ce, Pr and Eu)

    Article • Materials Chemistry and Physics, June 2018, Elsevier

    Dr. Iftikhar Ahmad, Dr. Zahid Ali

  36. Electron correlation and spin-orbit coupling effects in scandium intermetallic compounds ScTM (TM = Co, Rh, Ir, Ni, Pd, Pt, Cu, Ag and Au)

    Article • International Journal of Modern Physics B, December 2017, World Scientific Pub Co Pte Lt

    Dr. Iftikhar Ahmad, Dr. Zahid Ali

  37. First-Principles Study of Electronic Structure, Mechanical, and Thermoelectric Properties of Ternary Palladates CdPd3O4 and TlPd3O4

    Article • Journal of Electronic Materials, December 2017, Springer Science + Business Media

    Dr. Imad Khan, Dr. Iftikhar Ahmad, Dr. Zahid Ali

  38. Effects of cobalt substitution on the physical properties of the perovskite strontium ferrite

    Article • Materials Chemistry and Physics, August 2017, Elsevier

    Dr. Imad Khan, Dr. Iftikhar Ahmad, Dr. Zahid Ali

  39. First-principle studies of the optoelectronic properties of ASnF3 (A = Na, K, Rb and Cs)

    Article • International Journal of Modern Physics B, April 2017, World Scientific Pub Co Pte Lt

    Dr. Imad Khan, Dr. Zahid Ali, Dr. Iftikhar Ahmad

  40. Structural, Mechanical and Optoelectronic Properties of Y2M2O7 (M = Ti, V and Nb) Pyrochlores: A First Principles Study

    Article • Journal of Electronic Materials, March 2017, Springer Science + Business Media

    Dr. Imad Khan, Dr. Zahid Ali, Dr. Iftikhar Ahmad

  41. First principle studies of electronic and magnetic properties of Lanthanide-Gold (RAu) binary intermetallics

    Article • Journal of Magnetism and Magnetic Materials, January 2017, Elsevier

    Dr. Zahid Ali, Professor Rashid Ahmad, Dr. Iftikhar Ahmad

  42. First-principle studies of the ternary palladates CaPd3O4 and SrPd3O4

    Article • Bulletin of Materials Science, December 2016, Springer Science + Business Media

    Dr. Zahid Ali, Dr. Imad Khan, Dr. Iftikhar Ahmad

  43. First-principles studies of pure and fluorine substituted alanines

    Article • Optical Materials, August 2016, Elsevier

    Dr. Zahid Ali, Dr. Imad Khan, Professor Rashid Ahmad, Dr. Iftikhar Ahmad

  44. First-principles studies of pure and fluorine substituted alanines

    Article • International Journal of Modern Physics B, June 2016, World Scientific Pub Co Pte Lt

    Dr. Zahid Ali, Dr. Imad Khan, Professor Rashid Ahmad, Dr. Iftikhar Ahmad

  45. Thermoelectric studies of IV–VI semiconductors for renewable energy resources

    Article • Materials Science in Semiconductor Processing, June 2016, Elsevier

    Dr. Zahid Ali, Dr. Imad Khan, Dr. Iftikhar Ahmad

  46. The Influence of Oxygen Substitution on the Optoelectronic Properties of ZnTe

    Article • Journal of Chemistry, January 2016, Hindawi Publishing Corporation

    Dr. Zahid Ali, Dr. Imad Khan, Dr. Iftikhar Ahmad

  47. Theoretical studies of the osmium based perovskites AOsO3 (A=Ca, Sr and Ba)

    Article • Journal of Physics and Chemistry of Solids, November 2015, Elsevier

    Dr. Iftikhar Ahmad, Dr. Zahid Ali

  48. Structural and magnetic properties of TlTF3 (T=Fe, Co and Ni) by hybrid functional theory

    Article • Journal of Magnetism and Magnetic Materials, August 2015, Elsevier

    Dr. Iftikhar Ahmad, Dr. Zahid Ali, Dr. Imad Khan

  49. Structural and optoelectronic properties of Mg substituted ZTe (Z=Zn, Cd and Hg)

    Article • Journal of Physics and Chemistry of Solids, August 2015, Elsevier

    Dr. Iftikhar Ahmad, Dr. Zahid Ali, Dr. Imad Khan

  50. Theoretical studies of the paramagnetic perovskites MTaO3 (M = Ca, Sr and Ba)

    Article • Materials Chemistry and Physics, July 2015, Elsevier

    Dr. Iftikhar Ahmad, Dr. Zahid Ali, Dr. Imad Khan

  51. Magneto-electronic studies of the inverse-perovskite (Eu3O)In

    Article • Journal of Magnetism and Magnetic Materials, May 2015, Elsevier

    Professor Saeid Jalali-Asadabadi, Dr. Iftikhar Ahmad, Dr. Zahid Ali, Dr. Imad Khan

  52. Structural, Mechanical and Magneto-Electronic Properties of the Ternary Sodium Palladium and Platinum Oxides

    Article • Zeitschrift für Naturforschung A, January 2015, De Gruyter

    Dr. Zahid Ali, Dr. Imad Khan, Dr. Iftikhar Ahmad

  53. Density functional studies of magneto-optic properties of CdCoS

    Article • Journal of Magnetism and Magnetic Materials, February 2014, Elsevier

    Dr. Iftikhar Ahmad, Dr. Zahid Ali, Dr. Imad Khan

  54. Magneto-electronic studies of anti-perovskites NiNMn3 and ZnNMn3

    Article • Computational Materials Science, January 2014, Elsevier

    Dr. Iftikhar Ahmad, Professor Saeid Jalali-Asadabadi, Dr. Imad Khan, Dr. Zahid Ali

  55. First principle optoelectronic studies of visible light sensitive CZT

    Article • Superlattices and Microstructures, November 2013, Elsevier

    Dr. Iftikhar Ahmad, Dr. Zahid Ali, Dr. Imad Khan

  56. Conversion of optically isotropic to anisotropic CdSxSe1−x (0⩽x⩽1) alloy with S concentration

    Article • Computational Materials Science, September 2013, Elsevier

    Dr. Iftikhar Ahmad, Professor Saeid Jalali-Asadabadi, Dr. Zahid Ali, Dr. Imad Khan

  57. Comparison of the electronic band profiles and magneto-optic properties of cubic and orthorhombic SrTbO3

    Article • Physica B Condensed Matter, August 2013, Elsevier

    Dr. Iftikhar Ahmad, Professor Saeid Jalali-Asadabadi, Dr. Zahid Ali, Dr. Imad Khan

  58. Structural and optoelectronic properties of the zinc titanate perovskite and spinel by modified Becke–Johnson potential

    Article • Physica B Condensed Matter, July 2013, Elsevier

    Dr. Iftikhar Ahmad, Dr. Zahid Ali, Dr. Imad Khan

  59. Robust Half-Metallicity and Magnetic Properties of Cubic Perovskite CaFeO3

    Article • Chinese Physics Letters, April 2013, Institute of Physics Publishing

    Dr. Iftikhar Ahmad, Dr. Zahid Ali, Dr. Imad Khan

  60. GGA+U studies of the cubic perovskites BaMO3 (M=Pr, Th and U)

    Article • Physica B Condensed Matter, February 2013, Elsevier

    Dr. Iftikhar Ahmad, Dr. Zahid Ali

  61. Comparison of band profiles and magnetic properties of the different phases of BaTbO3

    Article • Computational Materials Science, February 2013, Elsevier

    Dr. Iftikhar Ahmad, Professor Saeid Jalali-Asadabadi, Dr. Zahid Ali

  62. Band Profile Comparison of the Cubic Perovskites CaCoO3 and SrCoO3

    Article • Journal of Electronic Materials, December 2012, Springer Science + Business Media

    Dr. Iftikhar Ahmad, Dr. Zahid Ali

  63. Electronic structure of cubic perovskite SnTaO3

    Article • Intermetallics, December 2012, Elsevier

    Dr. Iftikhar Ahmad, Dr. Zahid Ali, Dr. Imad Khan

  64. Theoretical studies of structural and magnetic properties of cubic perovskites PrCoO3 and NdCoO3

    Article • Physica B Condensed Matter, October 2011, Elsevier

    Dr. Iftikhar Ahmad, Dr. Imad Khan, Dr. Zahid Ali

  65. Bandgap engineering of Cd1−xSrxO

    Article • Physica B Condensed Matter, July 2011, Elsevier

    Dr. Iftikhar Ahmad, Dr. Imad Khan, Dr. Zahid Ali

  66. Investigation of structural and optoelectronic properties of BaThO3

    Article • Optical Materials, January 2011, Elsevier

    Dr. Iftikhar Ahmad, Dr. Zahid Ali, Dr. Imad Khan