表面科学
Online ISSN : 1881-4743
Print ISSN : 0388-5321
ISSN-L : 0388-5321
水素終端表面の構造と動力学
田上 勝規塚田 捷
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1999 年 20 巻 10 号 p. 685-689

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The static and dynamic features of Si(001)/H(1×1) surface are studied with the tight-binding molecular-dynamics method. The repulsive interactions between the adjacent dihydrides are found to play a crucial role on their features. First, we present the surface structure distorted by the interaction between the H atoms. Although the dihydrides are known to have the canted structure on a single domain, we have found the structures at the domain boundaries. As for the vibrational spectra the H-H interactions are found to bear a novel peak above the stretching frequency of the Si-H bonds of the isolated dihydrides. The occurrence of the new peaks are predicted even on small terraces. Finally, the dissipation of the vibrational energy on the surface is discussed. The vibrational energy is observed to be quickly transferred to the other dihydrides via the H-H interactions, which result in the shortest relaxation time among the hydrogenterminated Si(001) surfaces.

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© 社団法人 日本表面科学会
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