Yasir Saeed

PhD Students


I am working in the electronic, structural, elastic, optical, magneto-optical, phonon and thermoelectric properties of materials. Also work in two dimensional systems i.e. graphene, topological insulator, and 2D electron gas interfaces in the framework of density functional theory. I use mainly WIEN2k code with support of Quantum-ESPRESSO, and VASP codes in my research work. 

Research Interests

  • Thermoelectric study in layered oxides and 2D topological insulators having high ZT (using BoltzTraP).
  • Stability via phonon dispersion relation for strained quintuple layers of Bi(Sb)2 X3 (X = S, Se, Te).
  • Optical properties of organic (pentacene derivatives) and inorganic solar cell
  • Magneto-optical study of borate glasses to increase hard drive storage.
  • Alloys study with doped magnetic material for new spintronic devices.
  • Structural and elastic properties of Lanthanides with group VIIA.

Selected Publications

  •  Y. Saeed, N. Singh, and U. Schwingenschlögl, “Thickness and strain effects on the thermoelectric transport in nanostructured Bi2Se3submitted (2013)
  •  Y. Saeed, N. Singh, and U. Schwingenschlögl, “Realization of high figure of merit in hydrated 3R-NaxRhO2.” submitted (2013)
  •  Y. Saeed, K. Zhao, N. Singh, R. Li, J. E. Anthony, A. Amassian, and U. Schwingenschlögl , “Influence of substitution on the optical properties of functionalized pentacene monomers and crystals: Experiment and theory.” Chem. Phys. Lett. 585, 95 (2013)
  •  A. Useinov, Y. Saeed, N. Singh, N. Useinov, and U. Schwingenschlögl, “Impact of lattice strain on tunnel magnetoresistance in Fe/Insulator/Fe and Fe/Insulator/La0.67Sr0.33MnO3 magnetic tunnel junctions.” Phys. Rev. B 88, 060405(R) (2013)
  •   Y. Saeed, N. Singh, D. Parker, and U. Schwingenschlögl, “Thermoelectric performance in electron and hole doped PtSb2.” J. Appl. Phys. 113, 163706 (2013)
  •   Y. Saeed, N. Singh, and U. Schwingenschlögl, “Half-metallicity and giant magneto-optical Kerr effect in N-doped NaTaO3.” Chem. Phys. Lett. 546, 96 (2012)
  •  Y. Saeed, N. Singh, and U. Schwingenschlögl, “Colossal thermoelectric power factor in K7/8RhO2.” Adv. Funct. Mater. 22, 2792 (2012)
  •  Y. Saeed, N. Singh, and U. Schwingenschlögl, “First principles results on TbAl3(BO3)4 : A promising magneto-optical material.” J. Appl. Phys. 110, 103512 (2011)


  • 2011-present, PhD in Materials Science & Engineering, KAUST, KSA
  • 2003-2006, MPhil in Solid State Physics, University of the Punjab, Pakistan
  • 2000-2002, MSc in Physics,  University of the Punjab, Pakistan​

Professional Profile

  • 2007-2010, Lecturer at Department of Physics, Govt. College University, Faisalabad, Pakistan
  • 2005-2007,  Research Assistant at Center of Excellence in Solid State Physics (CESSP), University of the Punjab, Pakistan​

Scientific and Professional Memberships

  • Materials Research Society (2013/14)


  • KAUST Fellowship Award 2011
  • Award for the best poster at KAUST, 14th Dec. 2011.
  • TWAS-ICTP (three months) Fellowship, July 2006.
  • TWAS-ICTP (three months) Fellowship, July 2007.