6533b7ddfe1ef96bd1273652
RESEARCH PRODUCT
Magic triangular and tetrahedral clusters
Hannu HäkkinenS. M. ReimannM. KoskinenM. ManninenPoul Erik Lindelofsubject
Ab initio molecular dynamicsPhysicsJelliumPhysics::Atomic and Molecular ClustersMagic (programming)Shell (structure)TetrahedronDensity functional theoryAtomic physicsHarmonic oscillatordescription
Using the methods of density functional theory and the jellium model we show that clusters with triangular [in two dimensions (2D)] or tetrahedral [in three dimensions (3D)] shapes have a strong shell structure and enhanced stability. Moreover, the shell closings correspond to the lowest magic numbers of a 2D and 3D harmonic oscillator and at the same time to the number of divalent atoms in close-packed triangles and tetrahedrons. Ab initio molecular dynamics simulations for Na and Mg clusters support the results of the jellium model.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 1997-11-15 | Physical Review B |