Theoretical study of excess Si emitted from Si-oxide/Si interfaces

Hiroyuki Kageshima, Masahi Uematsu, Kazuto Akagi, Shinji Tsuneyuki, Toru Akiyama, Kenji Shiraishi

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18 Citations (Scopus)


The excess Si emitted from the Si-oxide/Si interface is studied using the first-principles calculations. It is shown that the excess Si can have many (meta-) stable positions around the interface. In addition, some positions in the oxide do not have any dangling bonds or floating bonds in contrast to those in the bulk crystalline Si. The results indicate that the emitted Si can be located in the oxide layer but they do not necessarily cause charge traps in the oxide. The emitted Si atoms are thought to just be oxidized and absorbed into the oxide while a portion of them cause the E′ centers, the P b centers or charge traps.

Original languageEnglish
Pages (from-to)8223-8226
Number of pages4
JournalJapanese Journal of Applied Physics
Issue number12
Publication statusPublished - 2004 Dec


  • Defects
  • First-principles calculation
  • Interface
  • Interstitiels
  • Oxidation
  • Si
  • Si oxide


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