A study was performed on metal-doped magic clusters of Si, Ge and Sn. The studies was performed using ab initio pseudopotential plane wave method. It was shown that the well known nine- and ten-atom capped prism units as well as 12- and 14-atom clusters of these elements can transform to magic clusters with higher symmetries and larger highest occupied-lowest unoccupied molecular orbital gaps.
ASJC Scopus subject areas
- Physics and Astronomy (miscellaneous)