1 research outputs found
Structure of aluminum atomic chains
First-principles density functional calculations reveal that aluminum can
form planar chains in zigzag and ladder structures. The most stable one has
equilateral triangular geometry with four nearest neighbors; the other stable
zigzag structure has wide bond angle and allows for two nearest neighbors. An
intermediary structure has the ladder geometry and is formed by two strands.
All these planar geometries are, however, more favored energetically than the
linear chain. We found that by going from bulk to a chain the character of
bonding changes and acquires directionality. The conductance of zigzag and
linear chains is 4e^2/h under ideal ballistic conditions.Comment: modified detailed version, one new structure added, 4 figures,
modified figure1, 1 tabl