Hydrogen molecule trapped in silicon crystal

K. G. Nakamura; K. Ishioka; M. Kitajima; N. Fukata; K. Murakami; A. Endou; M. Kubo; A. Miyamoto

doi:10.1016/S0169-4332(98)00058-0

Hydrogen molecule trapped in silicon crystal

K. G. Nakamura, K. Ishioka, M. Kitajima, N. Fukata, K. Murakami, A. Endou, M. Kubo, A. Miyamoto

Research output: Contribution to journal › Conference article › peer-review

6 Citations (Scopus)

Abstract

Hydrogen molecule has been observed in the hydrogen-atom-treated silicon crystal using Raman spectroscopy. Trapping site and the vibrational frequency of H₂ in the silicon crystal have been studied with theoretical calculations. The ab initio molecular orbital theory and the density-functional-theory calculations have been performed with a Si₁₀H₁₆ cluster model. The calculations show that the trapping site of H₂ in the silicon crystal is the tetrahedral interstitial site and the calculated vibrational frequency agrees reasonably with the experiment.

Original language	English
Pages (from-to)	243-247
Number of pages	5
Journal	Applied Surface Science
Volume	130-132
DOIs	https://doi.org/10.1016/S0169-4332(98)00058-0
Publication status	Published - 1998
Externally published	Yes
Event	Proceedings of the 1997 4th International Symposium on Atomically Controlled Surfaces and Intefaces, ACSI-4 - Tokyo, Jpn Duration: 1997 Oct 27 → 1997 Oct 30

ASJC Scopus subject areas

Chemistry(all)
Condensed Matter Physics
Physics and Astronomy(all)
Surfaces and Interfaces
Surfaces, Coatings and Films

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title = "Hydrogen molecule trapped in silicon crystal",

abstract = "Hydrogen molecule has been observed in the hydrogen-atom-treated silicon crystal using Raman spectroscopy. Trapping site and the vibrational frequency of H2 in the silicon crystal have been studied with theoretical calculations. The ab initio molecular orbital theory and the density-functional-theory calculations have been performed with a Si10H16 cluster model. The calculations show that the trapping site of H2 in the silicon crystal is the tetrahedral interstitial site and the calculated vibrational frequency agrees reasonably with the experiment.",

author = "Nakamura, {K. G.} and K. Ishioka and M. Kitajima and N. Fukata and K. Murakami and A. Endou and M. Kubo and A. Miyamoto",

year = "1998",

doi = "10.1016/S0169-4332(98)00058-0",

language = "English",

volume = "130-132",

pages = "243--247",

journal = "Applied Surface Science",

issn = "0169-4332",

publisher = "Elsevier",

note = "Proceedings of the 1997 4th International Symposium on Atomically Controlled Surfaces and Intefaces, ACSI-4 ; Conference date: 27-10-1997 Through 30-10-1997",

}

TY - JOUR

T1 - Hydrogen molecule trapped in silicon crystal

AU - Nakamura, K. G.

AU - Ishioka, K.

AU - Kitajima, M.

AU - Fukata, N.

AU - Murakami, K.

AU - Endou, A.

AU - Kubo, M.

AU - Miyamoto, A.

PY - 1998

Y1 - 1998

N2 - Hydrogen molecule has been observed in the hydrogen-atom-treated silicon crystal using Raman spectroscopy. Trapping site and the vibrational frequency of H2 in the silicon crystal have been studied with theoretical calculations. The ab initio molecular orbital theory and the density-functional-theory calculations have been performed with a Si10H16 cluster model. The calculations show that the trapping site of H2 in the silicon crystal is the tetrahedral interstitial site and the calculated vibrational frequency agrees reasonably with the experiment.

AB - Hydrogen molecule has been observed in the hydrogen-atom-treated silicon crystal using Raman spectroscopy. Trapping site and the vibrational frequency of H2 in the silicon crystal have been studied with theoretical calculations. The ab initio molecular orbital theory and the density-functional-theory calculations have been performed with a Si10H16 cluster model. The calculations show that the trapping site of H2 in the silicon crystal is the tetrahedral interstitial site and the calculated vibrational frequency agrees reasonably with the experiment.

UR - http://www.scopus.com/inward/record.url?scp=0032094750&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0032094750&partnerID=8YFLogxK

U2 - 10.1016/S0169-4332(98)00058-0

DO - 10.1016/S0169-4332(98)00058-0

M3 - Conference article

AN - SCOPUS:0032094750

VL - 130-132

SP - 243

EP - 247

JO - Applied Surface Science

JF - Applied Surface Science

SN - 0169-4332

T2 - Proceedings of the 1997 4th International Symposium on Atomically Controlled Surfaces and Intefaces, ACSI-4

Y2 - 27 October 1997 through 30 October 1997

ER -

Hydrogen molecule trapped in silicon crystal

Abstract

ASJC Scopus subject areas

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