Formation of Metal-Encapsulating Si Cage Clusters

Hidefumi Hiura, Takehide Miyazaki, and Toshihiko Kanayama
Phys. Rev. Lett. 86, 1733 – Published 26 February 2001
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Abstract

We report the formation of a series of metal-containing hydrogenated silicon clusters using an ion trap. Mass analyses reveal that many types of transition metal ions M+ ( M=Hf, Ta, W, Re, Ir, etc.) react with silane (SiH4) to form dehydrogenated MSin+ cluster ions ( n=14, 13, 12, 11, 9, respectively) as an end product, indicating that the metal atom is endohedral and stabilizes the Si polyhedral cage. This finding is confirmed by our ab initio calculation that WSi12 is a W-encapsulating Si12 cage cluster, and is very stable owing to both the electronic and the geometrical shell closures.

  • Received 5 September 2000

DOI:https://doi.org/10.1103/PhysRevLett.86.1733

©2001 American Physical Society

Authors & Affiliations

Hidefumi Hiura1,*, Takehide Miyazaki2, and Toshihiko Kanayama3

  • 1Joint Research Center for Atom Technology (JRCAT)-Angstrom Technology Partnership, Tsukuba 305-0046, Japan
  • 2Electrotechnical Laboratory, 1-1-4 Umezono, Tsukuba 305-8568, Japan
  • 3JRCAT-National Institute for Advanced Interdisciplinary Research, 1-1-4 Higashi, Tsukuba 305-8562, Japan

  • *Present address: Fundamental Research Laboratories, NEC Corporation, Tsukuba 305-8501, Japan. Electronic address: h-hiura@bq.jp.nec.com

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Vol. 86, Iss. 9 — 26 February 2001

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