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Title: Theoretical discovery of stable structures of group III-V monolayers: The materials for semiconductor devices

Journal Article · · Applied Physics Letters
DOI:https://doi.org/10.1063/1.4936553· OSTI ID:22486133
 [1]
  1. Tokyo Metropolitan College of Industrial Technology, 8-17-1, Minami-Senju, Arakawa-ku, Tokyo 116-8523 (Japan)

Group III-V compounds are very important as the materials of semiconductor devices. Stable structures of the monolayers of group III-V binary compounds have been discovered by using first-principles calculations. The primitive unit cell of the discovered structures is a rectangle, which includes four group-III atoms and four group-V atoms. A group-III atom and its three nearest-neighbor group-V atoms are placed on the same plane; however, these connections are not the sp{sup 2} hybridization. The bond angles around the group-V atoms are less than the bond angle of sp{sup 3} hybridization. The discovered structure of GaP is an indirect transition semiconductor, while the discovered structures of GaAs, InP, and InAs are direct transition semiconductors. Therefore, the discovered structures of these compounds have the potential of the materials for semiconductor devices, for example, water splitting photocatalysts. The discovered structures may become the most stable structures of monolayers which consist of other materials.

OSTI ID:
22486133
Journal Information:
Applied Physics Letters, Vol. 107, Issue 21; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0003-6951
Country of Publication:
United States
Language:
English