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Stable Structures for Ge10 Cluster and Comparative Study with Si10 Cluster

✍ Scribed by Bao-Xing Li; Pei-Lin Cao


Book ID
101377795
Publisher
John Wiley and Sons
Year
2000
Tongue
English
Weight
299 KB
Volume
219
Category
Article
ISSN
0370-1972

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✦ Synopsis


Full-potential linear-muffin-tin-orbital molecular-dynamics (FP-LMTO MD) calculations have been performed to investigate the structures and energies of small cluster Ge 10 . We get twenty three stable structures for Ge 10 . The results suggest that only five structures are stable among the six structures proposed before, the remainder undergoes a distortion to another more stable form. Making comparison with the structures of Si 10 cluster, we find that there are much in common between them. But their ground state structures are different.


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Ge 10 cluster, Na 4 (Ge,Si) 9 O 20 , hydrothermal. A Si modified Ge 10 cluster with structure Na 4 (Ge,Si) 9 O 20 (denoted as HUT-1) was synthesized by hydrothermal synthesis at 160 Β°C with a sodium silicate source. The compound was characterized by single crystal, powder X-ray diffraction and TGA-