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The Structures of P8 and P9 Clusters

✍ Scribed by Bin Song; Pei-Lin Cao; Wei Zhao; Bao-Xing Li

Publisher: John Wiley and Sons
Year: 2001
Tongue: English
Weight: 217 KB
Volume: 226
Category: Article
ISSN: 0370-1972
DOI: 10.1002/1521-3951(200108)226:2<305::aid-pssb305>3.0.co;2-#

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✦ Synopsis

Subject classification: 61.46.+w; 73.22.-f; S5 Full-potential linear-muffin-tin-orbital molecular-dynamics (FP-LMTO MD) calculations have been performed to investigate the structures and energies of P 8 and P 9 clusters. We get fourteen stable structures for P 8 and fifteen stable structures for P 9 . The results confirm that "cuneane" structure is the most stable isomer of P 8 clusters. However, the distortion of a D 3h prism, which has not been reported so far, is the most stable among the fifteen P 9 isomers. phys. stat. sol. (b) 226, No. 2, 305-314 (2001)

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