All Stories

  1. Optoelectronic properties of all-inorganic pseudo-halide perovskite Cs2Pb(SCN)2Br2: a first-principles study

    Article • Chemical Physics, April 2026, Elsevier

    Dr. Imad Khan

  2. High-efficiency optoelectronics via quantum confinement in Ruddlesden–Popper pseudo-halide perovskites

    Article • International Journal of Modern Physics B, January 2026, World Scientific Pub Co Pte Lt

    Dr. Imad Khan

  3. Computational insight into lead-free quasi-1D layered halide perovskites Cs2AgX3 (X = Cl/Br/I) for optoelectronic applications

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

    Dr. Imad Khan

  4. Effect of Strain on the Physical Properties of Ni2MSbO6 (M = Sc, In)

    Article • Physica B Condensed Matter, September 2025, Elsevier

    Dr. Imad Khan

  5. Optoelectronic structure and magnetic properties of the low-dimensional antiferromagnetic halide Cs2CoX4 (X = Cl, Br, I): A first-principles study

    Article • Modern Physics Letters B, June 2025, World Scientific Pub Co Pte Lt

    Dr. Imad Khan

  6. Structural, dielectric, and electrical properties of the spinel ferrites nanoparticles Cu1−xCoxFe2−yCryO4

    Article • Journal of Materials Science Materials in Electronics, June 2025, Springer Science + Business Media

    Dr. Imad Khan, Dr. Iftikhar Ahmad

  7. Tuning electronic and optical properties of narrow band gap 2D WSn2...

    Article • Computational Materials Science, June 2025, Elsevier

    Dr. Imad Khan

  8. First principle studies of the lead-free all-inorganic halide double perovskites Cs3InX6 (X = Cl, Br and I)

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

    Dr. Imad Khan

  9. Strain-induced effects on the physical properties of rare-earth magnetic oxides RMO3 (R= La, Pr; M = Fe, Mn); via first principles

    Article • Materials Science in Semiconductor Processing, March 2025, Elsevier

    Dr. Imad Khan

  10. First-principle study of the ground-state crystal structure and optoelectronic response of CsPbX3 (X= Cl, Br, I) for photovoltaic applications

    Article • Materials Science in Semiconductor Processing, December 2024, Elsevier

    Dr. Imad Khan

  11. Electronic, optical and photocatalytic properties of 2D penta-Pd2Pt2P4X2Y2 (X ≠ Y = S, Se, Te) Janus monolayers: a first principles study

    Article • Opto-electronics, October 2024, Springer Science + Business Media

    Dr. Iftikhar Ahmad, Dr. Imad Khan

  12. First-Principles Investigation of Optoelectronic Structure and Thermodynamic Properties of Ruddlesden-Popper Halide Perovskites for Optoelectronic Applications

    Article • Journal of Inorganic and Organometallic Polymers and Materials, August 2024, Springer Science + Business Media

    Dr. Imad Khan

  13. Effect of cerium doping on the structure, magnetic, electric and dielectric properties of spinel nano-magnets Mn0.5Zn0.5Fe2O4

    Article • Applied Physics A, August 2024, Springer Science + Business Media

    Dr. Imad Khan, Dr. Iftikhar Ahmad

  14. Ground state structure and optoelectronic properties of novel quasi-2D layered halide perovskites CsPb2X5 (X= Cl, Br, I) via first principle calculations

    Article • Materials Science in Semiconductor Processing, June 2024, Elsevier

    Dr. Imad Khan

  15. Structural and optoelectronic properties of 2D halide perovskites Cs2MBr4 (M = Zn, Cd, Hg): a first principle study

    Article • Opto-electronics, April 2024, Springer Science + Business Media

    Dr. Imad Khan

  16. Optical and photocatalytic studies of the novel 2D penta-M4P4X2Y2 (M=Pd, Pt; X≠Y S, Se, Te) Janus monolayers

    Article • Materials Science in Semiconductor Processing, April 2024, Elsevier

    Dr. Imad Khan, Dr. Iftikhar Ahmad

  17. 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

  18. Investigation of NMR shielding, EFG and structural relaxation of all-inorganic Pb-based Ruddlesden Popper halide perovskites

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

    Dr. Imad Khan

  19. Magnetic Phase Transition and Variation in Physical Properties of Mn2MnB'O6 (B' = Mo, Sb) via Strain Engineering

    Article • Materials Today Communications, August 2023, Elsevier

    Dr. Imad Khan

  20. Ferroelectric, electronic and magnetic properties of Mn2ScMO6 (M = Nb, Ta) double corundum oxides via first principles

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

    Dr. Imad Khan

  21. Intriguing optical and photocatalytic properties of pentagonal penta-PtPS, -PtPSe and -PtPTe monolayers: A first-principle study

    Article • Journal of Physics and Chemistry of Solids, June 2023, Elsevier

    Dr. Imad Khan, Dr. Iftikhar Ahmad

  22. Band gap engineering and optoelectronic properties of all-inorganic Ruddlesden-Popper halide perovskites Cs2B(X1-uYu)4 (B = Pb, Sn; X/Y = Cl, Br, I)

    Article • Materials Science in Semiconductor Processing, April 2023, Elsevier

    Dr. Imad Khan

  23. Lead-free Dion–Jacobson halide perovskites CsMX2Y2 (M = Sb, Bi and X, Y = Cl, Br, I) used for optoelectronic applications via first principle calculations

    Article • Journal of Physics and Chemistry of Solids, December 2022, Elsevier

    Dr. Imad Khan, Dr. Iftikhar Ahmad

  24. Investigations of the structural, magnetic, mechanical, electronic and ferroelectric properties of Mn2MnWO6 double corundum oxide

    Article • Materials Chemistry and Physics, December 2022, Elsevier

    Dr. Imad Khan

  25. First-principles study of polar magnets corundum double-oxides Mn2FeMO6 (M = W and Mo)

    Article • Journal of Magnetism and Magnetic Materials, December 2022, Elsevier

    Dr. Imad Khan

  26. Structural and optoelectronic properties of Ge- and Si -based inorganic two dimensional Ruddlesden Popper halide perovskites

    Article • Materials Today Communications, December 2022, Elsevier

    Dr. Imad Khan

  27. 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, Dr. Imad Khan

  28. Structural and optoelectronic properties of CsLnZnTe3 (Ln = La, Pr, Nd and Sm)

    Article • Journal of Rare Earths, April 2022, Elsevier

    Dr. Imad Khan, Dr. Iftikhar Ahmad

  29. First-principles study of the structural and optoelectronic properties of ANbO3 (A = Na, K and Rb) in four crystal phases

    Article • Materials Science in Semiconductor Processing, March 2022, Elsevier

    Dr. Imad Khan, Dr Aijaz Rasool Chaudhry

  30. Electronic structure and magnetic properties of the perovskites SrTMO3 (TM = Mn, Fe, Co, Tc, Ru, Rh, Re, Os and Ir)

    Article • Physica B Condensed Matter, January 2022, Elsevier

    Dr. Imad Khan, Dr. Iftikhar Ahmad

  31. First-principles prediction of the ground-state crystal structure of double-perovskite halides Cs2AgCrX6 (X = Cl, Br, and I)

    Article • Journal of Physics and Chemistry of Solids, January 2022, Elsevier

    Dr. Imad Khan, Dr Aijaz Rasool Chaudhry

  32. Two-dimensional van der Waals heterostructures (vdWHs) with band alignment transformation in multi-functional devices

    Article • RSC Advances, January 2022, Royal Society of Chemistry

    Dr. Imad Khan

  33. 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

  34. Spin-orbit coupling effect on the optoelectronic and thermoelectric properties of the perovskites A3SnO (A = Ca, Sr and Ba)

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

    Dr. Imad Khan, Dr. Iftikhar Ahmad

  35. 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

  36. Optoelectronic and elastic properties of metal halides double perovskites Cs2InBiX6 (X = F, Cl, Br, I)

    Article • Chinese Optics Letters, January 2021, Shanghai Institute of Optics and Fine Mechanics

    Dr. Imad Khan

  37. 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

  38. Elastic and Optoelectronic Properties of Cs2NaMCl6 (M = In, Tl, Sb, Bi)

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

    Dr. Imad Khan, Dr. Iftikhar Ahmad

  39. 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

  40. 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

  41. 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

  42. 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

  43. 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

  44. 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

  45. 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

  46. 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

  47. 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

  48. 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

  49. 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

  50. Comparative study of thermoelectric properties of Co based filled antimonide skutterudites with and without SOC effect

    Article • Computational Materials Science, April 2017, Elsevier

    Dr. Imad Khan, Dr. Iftikhar Ahmad

  51. 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

  52. Effects of chemical potential on the thermoelectric performance of alkaline-earth based skutterudites (AFe4Sb12, ACa, Sr and Ba)

    Article • Journal of Alloys and Compounds, February 2017, Elsevier

    Dr. Imad Khan, Dr. Iftikhar Ahmad

  53. 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

  54. 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

  55. 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

  56. 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

  57. Electronic Band Structures of the Highly Desirable III–V Semiconductors: TB-mBJ DFT Studies

    Article • Journal of Electronic Materials, May 2016, Springer Science + Business Media

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

  58. 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

  59. Electronic band structures of binary skutterudites

    Article • Journal of Alloys and Compounds, October 2015, Elsevier

    Dr. Iftikhar Ahmad, Dr. Imad Khan

  60. 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

  61. 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

  62. 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

  63. 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

  64. 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

  65. DFT-mBJ Studies of the Band Structures of the II-VI Semiconductors

    Article • Materials Today Proceedings, January 2015, Elsevier

    Dr. Imad Khan, Dr. Iftikhar Ahmad

  66. First principle studies of structural, elastic, electronic and optical properties of Zn-chalcogenides under pressure

    Article • Journal of Semiconductors, July 2014, Institute of Physics Publishing

    Dr. Iftikhar Ahmad, Dr. Imad Khan

  67. 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

  68. 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

  69. 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

  70. 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

  71. 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

  72. 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

  73. 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

  74. Electronic band structure of LaCoO3/Y/Mn compounds

    Article • Physica B Condensed Matter, February 2013, Elsevier

    Dr. Iftikhar Ahmad, Dr. Imad Khan

  75. Electronic and optical properties of mixed Be-chalcogenides

    Article • Journal of Physics and Chemistry of Solids, February 2013, Elsevier

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

  76. Electronic structure of cubic perovskite SnTaO3

    Article • Intermetallics, December 2012, Elsevier

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

  77. Effect of phase transition on the optoelectronic properties of Zn1−xMgxS

    Article • Journal of Applied Physics, October 2012, American Institute of Physics

    Dr. Iftikhar Ahmad, Dr. Imad Khan

  78. Transition from optically inactive to active Mg-chalcogenides: A first principle study

    Article • Computational Materials Science, August 2012, Elsevier

    Dr. Imad Khan, Dr. Iftikhar Ahmad

  79. Theoretical studies of the band structure and optoelectronic properties of ZnOxS1−x

    Article • International Journal of Quantum Chemistry, July 2012, Wiley

    Dr. Iftikhar Ahmad, Dr. Imad Khan

  80. 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

  81. Bandgap engineering of Cd1−xSrxO

    Article • Physica B Condensed Matter, July 2011, Elsevier

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

  82. Investigation of structural and optoelectronic properties of BaThO3

    Article • Optical Materials, January 2011, Elsevier

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