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Multivacancy and Its Hydrogen Decoration in Crystalline Si

Toru Akiyama, Toru Akiyama ; Yasuharu Okamoto, Yasuharu Okamoto ; Mineo Saito, Mineo Saito ; [et al.]

IOP Publishing ; 1999

In: Japanese Journal of Applied Physics Vol. 38, No. 12A ( 1999-12-01), p. L1363-

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In: Japanese Journal of Applied Physics, IOP Publishing, Vol. 38, No. 12A ( 1999-12-01), p. L1363-

Abstract: We present first-principles total-energy calculations that reveal microscopic structures of multivacancies in Si and their feasibility of hydrogen incorporation. We find that the hexavacancy V 6 and the decavacancy V 10 are stable, and that the stable multivacancies are either free from or fully decorated with hydrogen depending on its chemical potential. We also find that the H-decorated multivacancy is capable of containing an additional H 2 molecule and hereby exhibits peculiar vibration spectra related to the hydrogen.

Type of Medium: Online Resource

ISSN: 0021-4922 , 1347-4065

URL: Article

DOI: 10.1143/JJAP.38.L1363

RVK:

UA 4210.1

RVK:

UA 4210.2

RVK:

UA 4210

Language: Unknown

Publisher: IOP Publishing