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.
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U2 - 10.1016/S0169-4332(98)00058-0
DO - 10.1016/S0169-4332(98)00058-0
M3 - Conference article
AN - SCOPUS:0032094750
SN - 0169-4332
VL - 130-132
SP - 243
EP - 247
JO - Applied Surface Science
JF - Applied Surface Science
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 -