All Stories

  1. Atomistic modeling of layered polar crystals with machine learning and dispersion models
  2. Easy-plane magnetic anisotropy of a single dopant in a single semiconductor nanowire
  3. Enhancement of the magnetic anisotropy in single semiconductor nanowires via surface doping and adatom deposition
  4. Magnetic Heterostructures of Transition Metal Dichalcogenides: Antiparallel Magnetic Moments and Half-Metallic State
  5. Magnetic ground state in FeTe2,VS2 , and
  6. Segregation tendencies of transition-metal dopants in wide band gap semiconductor nanowires
  7. BiTeI Kristalinde Spin-Yörünge Yarılmasının Gerinim ile Değişimi
  8. Surface doping of ZnO nanowires with Bi: Density-functional supercell calculations of defect energetics
  9. Lateral and Vertical Heterostructures of Transition Metal Dichalcogenides
  10. Electrical tuning of spin splitting in Bi-doped ZnO nanowires
  11. Doping-induced spin-orbit splitting in Bi-doped ZnO nanowires
  12. Planar heterostructures of single-layer transition metal dichalcogenides: Composite structures, Schottky junctions, tunneling barriers, and half metals
  13. Pressure dependence of the band-gap energy in BiTeI
  14. Computational Studies of Bismuth-Doped Zinc Oxide Nanowires
  15. Crystal and electronic structure of BiTeI, AuTeI, and PdTeI compounds: A dispersion-corrected density-functional study
  16. Combined hybrid functional and DFT+U calculations for metal chalcogenides
  17. Nanocrystal energetics via quantum similarity measures
  18. A polythiophene derivative bearing TEMPO as a cathode material for rechargeable batteries
  19. First-principles study of polyacetylene derivatives bearing nitroxide radicals
  20. Energy-distance relation for fcc transition metal nanocrystals
  21. Size- and shape-dependent energetics of transition-metal nanocrystals
  22. Doping of chalcopyrites by hydrogen
  23. n-type doping and passivation of
  24. n-type doping of oxides by hydrogen
  25. Reversible band-gap engineering in carbon nanotubes by radial deformation
  26. Origins of Coexistence of Conductivity and Transparency inSnO2
  27. Ab initio temperature dependent studies of the homoepitaxial growth on Si(001) surface
  28. Variable and reversible quantum structures on a single carbon nanotube
  29. Pressure-induced interlinking of carbon nanotubes
  30. First-principles investigation of structural and electronic properties of solid cubane and its doped derivatives
  31. A First-Principles Study of the Structure and Dynamics of C8H8, Si8H8, and Ge8H8 Molecules
  32. Vibrations of the cubane molecule: inelastic neutron scattering study and theory
  33. Conductance through atomic contacts created by scanning tunneling microscopy
  34. Quantum point contact on graphite surface
  35. Defects in photovoltaic materials and the origin of failure to dope them