The same in the bulk but different as clusters: X3Y3 (X = B, Al, Ga; Y = P, As)

Journal Article · Tue Nov 19 00:00:00 EST 2013 · Chemical Physics Letters

DOI:https://doi.org/10.1016/j.cplett.2013.10.003· OSTI ID:1233790

Alexandrova, Anastassia N.; Nechay, Michael R.; Lydon, Brian R.; Buchan, Daniel P.; Yeh, Alex J.; Tai, Ming-Hei; Kostrikin, Ivan P.; Gabrielyan, Lilit

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.

• Research Organization: Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Environmental Molecular Sciences Lab. (EMSL)
• Sponsoring Organization: USDOE
• DOE Contract Number: AC05-76RL01830
• OSTI ID: 1233790
• Journal Information: Chemical Physics Letters, Vol. 588; ISSN 0009-2614
• Publisher: Elsevier
• Country of Publication: United States
• Language: English

Related Subjects

Environmental Molecular Sciences Laboratory