Title of article
The same in the bulk but different as clusters: X3Y3 (X = B, Al, Ga; Y = P, As)
Author/Authors
Alexandrova، نويسنده , , Anastassia N. and Nechay، نويسنده , , Michael R. and Lydon، نويسنده , , Brian R. and Buchan، نويسنده , , Daniel P. and Yeh، نويسنده , , Alex J. and Tai، نويسنده , , Ming-Hei and Kostrikin، نويسنده , , Ivan P. and Gabrielyan، نويسنده , , Lilit، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2013
Pages
6
From page
37
To page
42
Abstract
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.
Journal title
Chemical Physics Letters
Serial Year
2013
Journal title
Chemical Physics Letters
Record number
1935712
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