The same in the bulk but different as clusters: X3Y3 (X = B, Al, Ga; Y = P, As)
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- 作者：Anastassia N. Alex ; rova ; Michael R. Nechay ; Brian R. Lydon ; Daniel P. Buchan ; Alex J. Yeh ; Ming-Hei Tai ; Ivan P. Kostrikin ; Lilit Gabrielyan
- 刊名：Chemical Physics Letters
- 出版年：19 November, 2013
- 年：2013
- 卷：588
- 期：Complete
- 页码：37-42
- 全文大小：1231 K
文摘
Most binary materials formed by early group 13 and 15 elements are semiconductors identical in their structures and properties. We show that in the ultra-small cluster regime these materials are markedly different. Among X3Y3 (X = B, Al, Ga; Y = P, As), lighter clusters are planar, and heavier clusters are compact and three-dimensional. The difference is owed to the interplay between covalency and delocalized non-directional bonding in these systems. If the sp-hybridization in the constituent elements is energetically affordable and leads to strong directional overlap, the bonding is covalent and the cluster is flat. Otherwise, the cluster is three-dimensional.