All Stories

  1. Finding the right substrate support for magnetic superatom assembly from density functional calculations
  2. A density functional study of silver clusters on a stepped graphite surface: formation of self-assembled nano-wires
  3. Nature of Valence Transition and Spin Moment in Ag n V + Clusters
  4. Do Agn (up to n = 8) clusters retain their identity on graphite? Insights from first-principles calculations including dispersion interactions
  5. Structural, electronic and magnetic properties of binary transition metal aluminum clusters: absence of electronic shell structure
  6. Designing Fe Nanostructures at Graphene/h-BN Interfaces
  7. Electronic structure of the spin gapless material Co-doped PbPdO2
  8. Electronic and magnetic properties of 3d transition metal-doped strontium clusters: Prospective magnetic superatoms
  9. Ab initio and anion photoelectron studies of Rhn (n = 1 − 9) clusters
  10. Density functional study of structural defects in h-BNC 2 sheets
  11. Shell magnetism in transition metal doped calcium superatom
  12. First-principles study of electronic and magnetic properties of transition metal adsorbed h-BNC2 sheets
  13. New Insights into Applicability of Electron-Counting Rules in Transition Metal Encapsulating Ge Cage Clusters
  14. KO 2 : Realization of Orbital Ordering in a p -Orbital System
  15. Effect of Electronic and Geometric Shell Closures on the Stability of Neutral and Anionic TiNa n ( n = 1−13) Clusters
  16. Density functional study of ferromagnetism in alkali metal thin films
  17. Enhanced magnetic moments of alkali metal coated Sc clusters: New magnetic superatoms
  18. Density Functional Investigation of Structure and Stability of Ge n and Ge n Ni ( n = 1−20) Clusters: Validity of the Electron Counting Rule
  19. Formation of atomic gold chain on hydrogen terminated Si(001):3×1 surface: A density functional study
  20. Designer magnetic superatoms
  21. Ti-Decorated Doped Silicon Fullerene: A Possible Hydrogen-Storage Material
  22. First-principles study of TMNa n (TM = Cr, Mn, Fe, Co, Ni; n = 4–7) clusters
  23. First principles study of Sc, Ti, and V doped Na n ( n = 4 , 5 , 6 ) clusters: Enhanced magnetic moments
  24. Peierls instability and electron–phonon coupling in a one-dimensional sodium wire
  25. Structural studies of phosphorus induced dimers on Si(001)
  26. Initial growth of Ba on Si(001)
  27. Electronic structure and ground states of transition metals encapsulated in a Si 12 hexagonal prism cage
  28. Electronic structure of Te- and As-covered Si(211)
  29. Finite temperature studies of Te adsorption on
  30. Formation of an ordered Si dimer structure on HfB 2 ( 0001 )
  31. Pentagonal nanowires: A first-principles study of the atomic and electronic structure
  32. Quantum transport through one-dimensional aluminum wires
  33. Structure of aluminum atomic chains
  34. Te covered Si(001): A variable surface reconstruction
  35. Simulation of Flux Lines with Columnar Pins: Bose Glass and Entangled Liquids
  36. SELF-CONSISTENT NUMERICAL STUDIES OF MAGNETIC IMPURITIES IN HUBBARD ANTIFERROMAGNET
  37. Magnetic impurities in Mott-Hubbard antiferromagnets
  38. Self-consistent numerical study of pure and impurity doped three-band Hubbard model
  39. Impurity scattering of spin waves in a doped Mott-Hubbard antiferromagnet
  40. Gap states in a doped Mott-Hubbard insulator
  41. Gap states, local moments, and magnetic dynamics in a Mott-Hubbard antiferromagnet doped with static impurities
  42. Collective and single-particle excitations in a Hubbard antiferromagnet