All Stories

  1. Computational modelling and predictions in Machinawite FeS and FeSe
  2. The exploration of electronic and phonon properties in PbO2 using the density functional theory
  3. Exploring ground state properties in carbon-based IV compounds (Ge, Sn) with DFT
  4. The structural, electronic, optical, elastic, and vibrational properties of GeS2 using HSE03
  5. The computational ground-state predictions of hafnium-based compound using DFT
  6. The structural, electronic, optical, and mechanical properties of one-dimensional nanotube-like Bi
  7. Computational modelling and Simulations of quasi-one-dimensional molybdenum sesquisulphide
  8. Exploration of ground state carbon-based halides properties: an ab. initio approach
  9. Computational preductions of ZrCl4 with density functional theory
  10. The structural, electronic, optical, mechanical and vibrational properties of Te2W with HSE03
  11. Computational modeling and predictions of CeO2 with DFT calculations
  12. Computational modelling and DFT simulations of AgNO3 compound
  13. Computational Predictions on TiS3 material with density functional theory
  14. Computational Simulations on Cuprous iodide (CuI) compound
  15. Computational calculations on Ag3X (X=S , Se) with ab. initio. methods
  16. Computational Predictions on Compound Sb2Se3
  17. Computational predictions on WO3
  18. Computational predictions on Boron oxide B2O3
  19. The DFT calculations of bulk and Te-doped SnSe2
  20. Computational predictions on Sn-doped Ga2O3 using density functional theory
  21. Computational predictions and descriptions on SnO materials.
  22. Computational predictions on Ga2O3
  23. Computational predictions on Arsenic-Selenium alloy compound
  24. Computational predictions of two-dimensional graphene-like GaN with density functional theory
  25. hexagonal h-ZnS with density functional theory
  26. The electronic and optical properties of SiO2–Al–SiO2 with density functional theory
  27. The optical and elastic properties of strained ZnO by first principle calculations
  28. Materials Research Express, October 2019, Institute of Physics Publishing
  29. The First Principle Study: Structural, Electronic, Optical, Phonon and Elastic Properties in Bulk and Monolayer Molybdenum Ditelluride
  30. The Structural, Electronic, Optical and Elastic Properties of ε-Type Gallium Selenide: A First Principle Study
  31. The electronic and structural properties in Ca2TiMnO6 double perovskite: The first principle study
  32. First Principle Study: Electronic Properties of Graphene on Boron Phosphide
  33. The bandgap distribution investigated across the strain-induced bending ZnO nanowire
  34. The first principle study of electronic and optical properties in rhombohedral BiAlO 3
  35. The first principle study: Electronic and optical properties in Bi2Se3
  36. Are InGaAs and InGaP Nanowires piezoelectric?
  37. Graphene/GaN diodes for ultraviolet and visible photodetectors
  38. Tunable band gap in germanene by surface adsorption
  39. Non-linear piezoelectricity in zinc blende GaAs and InAs semiconductors
  40. Non linear piezoelectricity in zincblende GaAs and InAs semiconductors
  41. Strain dependence of internal displacement and effective charge in wurtzite III-N semiconductors
  42. Opto-electronics, December 2011, Springer Science + Business Media
  43. Erratum: Second-order piezoelectricity in wurtzite III-N semiconductors [Phys. Rev. B84, 085211 (2011)]
  44. Investigating the effect of non linear piezoelectricity on the excitonic properties of III-N semiconductor quantum dots
  45. Physical Review B, August 2011, American Physical Society (APS)