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First Principles Study of Polyatomic Clusters of AlN, GaN, and InN. 1. Structure, Stability, Vibrations, and Ionization

✍ Scribed by Kandalam, Anil K.; Pandey, Ravindra; Blanco, M. A.; Costales, Aurora; Recio, J. M.; Newsam, John M.


Book ID
127134082
Publisher
American Chemical Society
Year
2000
Tongue
English
Weight
68 KB
Volume
104
Category
Article
ISSN
0022-3654

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First-principles study on stability and
✍ Xiao-Jun Ren; Bao-Xing Li πŸ“‚ Article πŸ“… 2010 πŸ› Elsevier Science 🌐 English βš– 422 KB

We have investigated the structures, stabilities and magnetism of zinc-doped Al n (n =1-9) clusters in detail by using first-principles density functional theory. Our calculated results indicate that the ground state structures of the mixed Al n Zn (n = 1-9) clusters doped with one zinc atom can be