Density functional study of 110 -oriented thin silicon nanowires

Описание

Тип публикации: статья из журнала

Год издания: 2008

Идентификатор DOI: 10.1103/PhysRevB.77.235417

Аннотация: The electronic band structure and energetic stability of two types of oriented silicon nanowires terminated by hydrogen atoms are studied using the density functional theory. The nanowires truncated from the bulk silicon with [100] and [111] facets and the pentagonal star-shaped nanowires with [111] facets have the lowest cohesiveПоказать полностьюenergies, whereas the hexagonal star-shaped ones are the highest in energy. The star-shaped nanowires have the lowest band gaps with direct and indirect transitions for pentagonal and hexagonal types, respectively. Based on the theoretical results, an interpretation of existing experimental data has been provided.

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Издание

Журнал: PHYSICAL REVIEW B

Выпуск журнала: Vol. 77, Is. 23

Номера страниц: 235417

ISSN журнала: 10980121

Место издания: COLLEGE PK

Издатель: AMER PHYSICAL SOC

Авторы

  • Sorokin P.B. (Emanuel Institute of Biochemical Physics,Russian Academy of Sciences)
  • Kvashnin A.G. (Siberian Federal University)
  • Kvashnin D.G. (Siberian Federal University)
  • Ovchinnikov S.G. (Kirensky Institute of Physics,Russian Academy of Sciences,Akademgorodok)
  • Fedorov A.S. (Kirensky Institute of Physics,Russian Academy of Sciences,Akademgorodok)
  • Avramov P.V. (Fukui Institute for Fundamental Chemistry,Kyoto University)

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