Theory of metastable group-IV alloys formed from CVD precursors

Peihong Zhang, Vincent Henry Crespi, Eric Chang, Steven G. Louie, Marvin L. Cohen

Research output: Contribution to journalArticle

11 Citations (Scopus)

Abstract

Using chemical-vapor deposition (CVD) precursors, group-IV compounds such as Si4C and Ge4C, which incorporate 20 at. % carbon, have been synthesized. Here we present systematic ab initio studies of the electronic and structural properties of group-IV compounds formed from CVD precursors. We also propose a class of precursor molecules for materials containing 25 at. % carbon. These compounds are energetically comparable to already synthesized materials (e.g., Ge4C) and are semimetallic within the local-density approximation. In addition, we give information for two previously proposed group-IV compounds, Si2Sn2C and Ge3SnC, which are direct-gap semiconductors and match the lattice of silicon to within 1%.

Original languageEnglish (US)
Article number235201
Pages (from-to)2352011-23520110
Number of pages21168100
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume64
Issue number23
StatePublished - Dec 15 2001

Fingerprint

Chemical vapor deposition
Carbon
vapor deposition
Local density approximation
Silicon
Crystal lattices
Electronic properties
Structural properties
carbon
Semiconductor materials
Molecules
silicon
approximation
electronics
molecules

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

Zhang, P., Crespi, V. H., Chang, E., Louie, S. G., & Cohen, M. L. (2001). Theory of metastable group-IV alloys formed from CVD precursors. Physical Review B - Condensed Matter and Materials Physics, 64(23), 2352011-23520110. [235201].
Zhang, Peihong ; Crespi, Vincent Henry ; Chang, Eric ; Louie, Steven G. ; Cohen, Marvin L. / Theory of metastable group-IV alloys formed from CVD precursors. In: Physical Review B - Condensed Matter and Materials Physics. 2001 ; Vol. 64, No. 23. pp. 2352011-23520110.
@article{0eeecef8dca14f6a9b85dab9f159e89b,
title = "Theory of metastable group-IV alloys formed from CVD precursors",
abstract = "Using chemical-vapor deposition (CVD) precursors, group-IV compounds such as Si4C and Ge4C, which incorporate 20 at. {\%} carbon, have been synthesized. Here we present systematic ab initio studies of the electronic and structural properties of group-IV compounds formed from CVD precursors. We also propose a class of precursor molecules for materials containing 25 at. {\%} carbon. These compounds are energetically comparable to already synthesized materials (e.g., Ge4C) and are semimetallic within the local-density approximation. In addition, we give information for two previously proposed group-IV compounds, Si2Sn2C and Ge3SnC, which are direct-gap semiconductors and match the lattice of silicon to within 1{\%}.",
author = "Peihong Zhang and Crespi, {Vincent Henry} and Eric Chang and Louie, {Steven G.} and Cohen, {Marvin L.}",
year = "2001",
month = "12",
day = "15",
language = "English (US)",
volume = "64",
pages = "2352011--23520110",
journal = "Physical Review B-Condensed Matter",
issn = "1098-0121",
publisher = "American Physical Society",
number = "23",

}

Zhang, P, Crespi, VH, Chang, E, Louie, SG & Cohen, ML 2001, 'Theory of metastable group-IV alloys formed from CVD precursors', Physical Review B - Condensed Matter and Materials Physics, vol. 64, no. 23, 235201, pp. 2352011-23520110.

Theory of metastable group-IV alloys formed from CVD precursors. / Zhang, Peihong; Crespi, Vincent Henry; Chang, Eric; Louie, Steven G.; Cohen, Marvin L.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 64, No. 23, 235201, 15.12.2001, p. 2352011-23520110.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Theory of metastable group-IV alloys formed from CVD precursors

AU - Zhang, Peihong

AU - Crespi, Vincent Henry

AU - Chang, Eric

AU - Louie, Steven G.

AU - Cohen, Marvin L.

PY - 2001/12/15

Y1 - 2001/12/15

N2 - Using chemical-vapor deposition (CVD) precursors, group-IV compounds such as Si4C and Ge4C, which incorporate 20 at. % carbon, have been synthesized. Here we present systematic ab initio studies of the electronic and structural properties of group-IV compounds formed from CVD precursors. We also propose a class of precursor molecules for materials containing 25 at. % carbon. These compounds are energetically comparable to already synthesized materials (e.g., Ge4C) and are semimetallic within the local-density approximation. In addition, we give information for two previously proposed group-IV compounds, Si2Sn2C and Ge3SnC, which are direct-gap semiconductors and match the lattice of silicon to within 1%.

AB - Using chemical-vapor deposition (CVD) precursors, group-IV compounds such as Si4C and Ge4C, which incorporate 20 at. % carbon, have been synthesized. Here we present systematic ab initio studies of the electronic and structural properties of group-IV compounds formed from CVD precursors. We also propose a class of precursor molecules for materials containing 25 at. % carbon. These compounds are energetically comparable to already synthesized materials (e.g., Ge4C) and are semimetallic within the local-density approximation. In addition, we give information for two previously proposed group-IV compounds, Si2Sn2C and Ge3SnC, which are direct-gap semiconductors and match the lattice of silicon to within 1%.

UR - http://www.scopus.com/inward/record.url?scp=0035893963&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0035893963&partnerID=8YFLogxK

M3 - Article

VL - 64

SP - 2352011

EP - 23520110

JO - Physical Review B-Condensed Matter

JF - Physical Review B-Condensed Matter

SN - 1098-0121

IS - 23

M1 - 235201

ER -