Hydrogen molecules and platelets in germanium

Hourahine, B. and Jones, R. and Briddon, P.R. (2006) Hydrogen molecules and platelets in germanium. Physica B: Condensed Matter, 376-377. pp. 105-108. ISSN 0921-4526

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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.