Stability of Sb line structures on Si(001)

Jian Tao Wang; Hiroshi Mizuseki; Yoshiyuki Kawazoe; Tomihiro Hashizume; Masamichi Naitoh; Ding Sheng Wang; En Ge Wang

doi:10.1103/PhysRevB.67.193307

Stability of Sb line structures on Si(001)

Jian Tao Wang, Hiroshi Mizuseki, Yoshiyuki Kawazoe, Tomihiro Hashizume, Masamichi Naitoh, Ding Sheng Wang, En Ge Wang

New Industry Creation Hatchery Center (NICHe)

Research output: Contribution to journal › Article › peer-review

17 Citations (Scopus)

Abstract

Structure and stability of Sb-dimer linear chains on the Si(001) surface are studied by means of ab initio quantum-mechanical molecular dynamics using pseudopotentials. It is confirmed that the model comprising a double core of seven-membered rings of silicon for Bi/Si(001) nanolines is indeed one of the most stable structures energetically, and it also explains Sb/Si nanolines. Moreover, it is clear that stability of the odd-membered-ring (5-7-5) structure will decrease as the group-V adatom changes from Bi to Sb, and disappear for As/Si due to the size effect.

Original language	English
Journal	Physical Review B - Condensed Matter and Materials Physics
Volume	67
Issue number	19
DOIs	https://doi.org/10.1103/PhysRevB.67.193307
Publication status	Published - 2003 May 21

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics

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10.1103/PhysRevB.67.193307

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abstract = "Structure and stability of Sb-dimer linear chains on the Si(001) surface are studied by means of ab initio quantum-mechanical molecular dynamics using pseudopotentials. It is confirmed that the model comprising a double core of seven-membered rings of silicon for Bi/Si(001) nanolines is indeed one of the most stable structures energetically, and it also explains Sb/Si nanolines. Moreover, it is clear that stability of the odd-membered-ring (5-7-5) structure will decrease as the group-V adatom changes from Bi to Sb, and disappear for As/Si due to the size effect.",

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AU - Wang, Jian Tao

AU - Mizuseki, Hiroshi

AU - Kawazoe, Yoshiyuki

AU - Hashizume, Tomihiro

AU - Naitoh, Masamichi

AU - Wang, Ding Sheng

AU - Wang, En Ge

PY - 2003/5/21

Y1 - 2003/5/21

N2 - Structure and stability of Sb-dimer linear chains on the Si(001) surface are studied by means of ab initio quantum-mechanical molecular dynamics using pseudopotentials. It is confirmed that the model comprising a double core of seven-membered rings of silicon for Bi/Si(001) nanolines is indeed one of the most stable structures energetically, and it also explains Sb/Si nanolines. Moreover, it is clear that stability of the odd-membered-ring (5-7-5) structure will decrease as the group-V adatom changes from Bi to Sb, and disappear for As/Si due to the size effect.

AB - Structure and stability of Sb-dimer linear chains on the Si(001) surface are studied by means of ab initio quantum-mechanical molecular dynamics using pseudopotentials. It is confirmed that the model comprising a double core of seven-membered rings of silicon for Bi/Si(001) nanolines is indeed one of the most stable structures energetically, and it also explains Sb/Si nanolines. Moreover, it is clear that stability of the odd-membered-ring (5-7-5) structure will decrease as the group-V adatom changes from Bi to Sb, and disappear for As/Si due to the size effect.

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Stability of Sb line structures on Si(001)

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