Role of vacancies to p-type semiconducting properties of SiGe nanowires

Rulong Zhou, Bingyan Qu, Bo Zhang, Pengfei Li, Xiao Cheng Zeng

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

Many experiments have shown that both composition-randomly-distributed Si1-xGex nanowires (NW) and the Ge/Si core/shell NW possess excellent p-type semiconducting properties without relying on any doping strategy. Vacancies in both NW are believed to play a key role in the p-type semiconducting properties. To gain deeper insights into the role of vacancies, we performed first-principle calculations to systematically study the effects of single Si or Ge vacancies in four distinct SiGe NW, namely, randomly-distributed triangular-prism (RTP) NW, fused triangular-prism (FTP) NW, the GecoreSishell NW and SicoreGe shell NW. We find that the tendency for vacancy formation depends strongly on the structures of the NW. The defective RTP, FTP and Ge coreSishell NW show promising p-type semiconducting properties while the defective SicoreGeshell NW does not. The Si vacancies in the inner region are attributed to the p-type properties of the RTP NW, and both the Si and Ge vacancies at the core/shell interfaces are attributed to the p-type properties of the FTP and the GecoreSi shell NW. Our results show how the vacancies affect the electronic structures and the semiconducting properties of different SiGe NW, and offer an explanation of why the synthesized Si1-xGex and Ge coreSishell NW possess excellent p-type semiconducting properties without relying on any doping strategy. This journal is

Original languageEnglish (US)
Pages (from-to)6536-6546
Number of pages11
JournalJournal of Materials Chemistry C
Volume2
Issue number32
DOIs
StatePublished - Aug 28 2014

Fingerprint

Nanowires
Vacancies
Prisms
Doping (additives)
Electronic structure

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Chemistry

Cite this

Role of vacancies to p-type semiconducting properties of SiGe nanowires. / Zhou, Rulong; Qu, Bingyan; Zhang, Bo; Li, Pengfei; Zeng, Xiao Cheng.

In: Journal of Materials Chemistry C, Vol. 2, No. 32, 28.08.2014, p. 6536-6546.

Research output: Contribution to journalArticle

Zhou, Rulong ; Qu, Bingyan ; Zhang, Bo ; Li, Pengfei ; Zeng, Xiao Cheng. / Role of vacancies to p-type semiconducting properties of SiGe nanowires. In: Journal of Materials Chemistry C. 2014 ; Vol. 2, No. 32. pp. 6536-6546.
@article{022869cf55224c07b92bd75923f2bc52,
title = "Role of vacancies to p-type semiconducting properties of SiGe nanowires",
abstract = "Many experiments have shown that both composition-randomly-distributed Si1-xGex nanowires (NW) and the Ge/Si core/shell NW possess excellent p-type semiconducting properties without relying on any doping strategy. Vacancies in both NW are believed to play a key role in the p-type semiconducting properties. To gain deeper insights into the role of vacancies, we performed first-principle calculations to systematically study the effects of single Si or Ge vacancies in four distinct SiGe NW, namely, randomly-distributed triangular-prism (RTP) NW, fused triangular-prism (FTP) NW, the GecoreSishell NW and SicoreGe shell NW. We find that the tendency for vacancy formation depends strongly on the structures of the NW. The defective RTP, FTP and Ge coreSishell NW show promising p-type semiconducting properties while the defective SicoreGeshell NW does not. The Si vacancies in the inner region are attributed to the p-type properties of the RTP NW, and both the Si and Ge vacancies at the core/shell interfaces are attributed to the p-type properties of the FTP and the GecoreSi shell NW. Our results show how the vacancies affect the electronic structures and the semiconducting properties of different SiGe NW, and offer an explanation of why the synthesized Si1-xGex and Ge coreSishell NW possess excellent p-type semiconducting properties without relying on any doping strategy. This journal is",
author = "Rulong Zhou and Bingyan Qu and Bo Zhang and Pengfei Li and Zeng, {Xiao Cheng}",
year = "2014",
month = "8",
day = "28",
doi = "10.1039/c4tc00958d",
language = "English (US)",
volume = "2",
pages = "6536--6546",
journal = "Journal of Materials Chemistry C",
issn = "2050-7526",
publisher = "Royal Society of Chemistry",
number = "32",

}

TY - JOUR

T1 - Role of vacancies to p-type semiconducting properties of SiGe nanowires

AU - Zhou, Rulong

AU - Qu, Bingyan

AU - Zhang, Bo

AU - Li, Pengfei

AU - Zeng, Xiao Cheng

PY - 2014/8/28

Y1 - 2014/8/28

N2 - Many experiments have shown that both composition-randomly-distributed Si1-xGex nanowires (NW) and the Ge/Si core/shell NW possess excellent p-type semiconducting properties without relying on any doping strategy. Vacancies in both NW are believed to play a key role in the p-type semiconducting properties. To gain deeper insights into the role of vacancies, we performed first-principle calculations to systematically study the effects of single Si or Ge vacancies in four distinct SiGe NW, namely, randomly-distributed triangular-prism (RTP) NW, fused triangular-prism (FTP) NW, the GecoreSishell NW and SicoreGe shell NW. We find that the tendency for vacancy formation depends strongly on the structures of the NW. The defective RTP, FTP and Ge coreSishell NW show promising p-type semiconducting properties while the defective SicoreGeshell NW does not. The Si vacancies in the inner region are attributed to the p-type properties of the RTP NW, and both the Si and Ge vacancies at the core/shell interfaces are attributed to the p-type properties of the FTP and the GecoreSi shell NW. Our results show how the vacancies affect the electronic structures and the semiconducting properties of different SiGe NW, and offer an explanation of why the synthesized Si1-xGex and Ge coreSishell NW possess excellent p-type semiconducting properties without relying on any doping strategy. This journal is

AB - Many experiments have shown that both composition-randomly-distributed Si1-xGex nanowires (NW) and the Ge/Si core/shell NW possess excellent p-type semiconducting properties without relying on any doping strategy. Vacancies in both NW are believed to play a key role in the p-type semiconducting properties. To gain deeper insights into the role of vacancies, we performed first-principle calculations to systematically study the effects of single Si or Ge vacancies in four distinct SiGe NW, namely, randomly-distributed triangular-prism (RTP) NW, fused triangular-prism (FTP) NW, the GecoreSishell NW and SicoreGe shell NW. We find that the tendency for vacancy formation depends strongly on the structures of the NW. The defective RTP, FTP and Ge coreSishell NW show promising p-type semiconducting properties while the defective SicoreGeshell NW does not. The Si vacancies in the inner region are attributed to the p-type properties of the RTP NW, and both the Si and Ge vacancies at the core/shell interfaces are attributed to the p-type properties of the FTP and the GecoreSi shell NW. Our results show how the vacancies affect the electronic structures and the semiconducting properties of different SiGe NW, and offer an explanation of why the synthesized Si1-xGex and Ge coreSishell NW possess excellent p-type semiconducting properties without relying on any doping strategy. This journal is

UR - http://www.scopus.com/inward/record.url?scp=84905043741&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84905043741&partnerID=8YFLogxK

U2 - 10.1039/c4tc00958d

DO - 10.1039/c4tc00958d

M3 - Article

AN - SCOPUS:84905043741

VL - 2

SP - 6536

EP - 6546

JO - Journal of Materials Chemistry C

JF - Journal of Materials Chemistry C

SN - 2050-7526

IS - 32

ER -