Hydrogen molecules and platelets in germanium

B. Hourahine, R. Jones, P.R. Briddon

Research output: Contribution to journalArticle

11 Citations (Scopus)

Abstract

There has been substantial interest in the behaviour of hydrogen in silicon over the last decade, often focused on the behaviour of the interstitial hydrogen molecule and {I I I} oriented platelets. Less is known about analogous hydrogen-related defects in germanium, but planar defects are known, and the molecule has possibly been observed recently by Raman scattering.

We present preliminary results of first-principles calculations on both the H-2 molecule and a range of platelet geometries ill germanium. For comparison the molecule in GaAs and Si is also simulated. Energetics and vibrational modes of the defects are presented. Our calculations show the observed weak mode at 3834cm(-1) in Ge is indeed consistent with the interstitial hydrogen molecule. (c) 2005 Elsevier B.V. All rights reserved.

Original languageEnglish
Pages (from-to)105-108
Number of pages4
JournalPhysica B: Condensed Matter
Volume376-377
DOIs
Publication statusPublished - 1 Apr 2006

Fingerprint

Germanium
Platelets
platelets
Hydrogen
germanium
Molecules
hydrogen
molecules
Defects
defects
interstitials
Silicon
Raman scattering
vibration mode
Raman spectra
Geometry
silicon
geometry

Keywords

  • hydrogen
  • germanium
  • theory
  • platelet
  • molecule
  • extended defect formation
  • crystlline silicon
  • oxygen
  • diffusion

Cite this

Hourahine, B. ; Jones, R. ; Briddon, P.R. / Hydrogen molecules and platelets in germanium. In: Physica B: Condensed Matter. 2006 ; Vol. 376-377. pp. 105-108.
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Hydrogen molecules and platelets in germanium. / Hourahine, B.; Jones, R.; Briddon, P.R.

In: Physica B: Condensed Matter, Vol. 376-377, 01.04.2006, p. 105-108.

Research output: Contribution to journalArticle

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T1 - Hydrogen molecules and platelets in germanium

AU - Hourahine, B.

AU - Jones, R.

AU - Briddon, P.R.

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AB - There has been substantial interest in the behaviour of hydrogen in silicon over the last decade, often focused on the behaviour of the interstitial hydrogen molecule and {I I I} oriented platelets. Less is known about analogous hydrogen-related defects in germanium, but planar defects are known, and the molecule has possibly been observed recently by Raman scattering.We present preliminary results of first-principles calculations on both the H-2 molecule and a range of platelet geometries ill germanium. For comparison the molecule in GaAs and Si is also simulated. Energetics and vibrational modes of the defects are presented. Our calculations show the observed weak mode at 3834cm(-1) in Ge is indeed consistent with the interstitial hydrogen molecule. (c) 2005 Elsevier B.V. All rights reserved.

KW - hydrogen

KW - germanium

KW - theory

KW - platelet

KW - molecule

KW - extended defect formation

KW - crystlline silicon

KW - oxygen

KW - diffusion

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