Infrared absorption on a complex comprising three equivalent hydrogen atoms in ZnO

F. Herklotz, A. Hupfer, K. M. Johansen, B. G. Svensson, S. G. Koch, and E. V. Lavrov
Phys. Rev. B 92, 155203 – Published 9 October 2015

Abstract

A hydrogen-related defect in ZnO which causes two broad IR absorption bands at 3303 and 3321 cm1 is studied by means of infrared absorption spectroscopy and first-principles theory. In deuterated samples, the defect reveals two sharp absorption lines at 2466 and 2488 cm1 accompanied by weaker sidebands at 2462 and 2480 cm1. Isotope substitution experiments with varying concentrations of H and D together with polarization-sensitive measurements strongly suggest that these IR absorption lines are due to stretch local vibrational modes of a defect comprising three equivalent hydrogen atoms. The zinc vacancy decorated by three hydrogen atoms, VZnH3, and ammonia trapped at the zinc vacancy, (NH3)Zn, are discussed as a possible origin for the complex.

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  • Received 21 June 2015

DOI:https://doi.org/10.1103/PhysRevB.92.155203

©2015 American Physical Society

Authors & Affiliations

F. Herklotz*, A. Hupfer, K. M. Johansen, and B. G. Svensson

  • University of Oslo, Department of Physics, Centre for Materials Science and Nanotechnology, P.O. Box 1048, Blindern, N-0316 Oslo, Norway

S. G. Koch and E. V. Lavrov

  • Technische Universität Dresden, D-01062 Dresden, Germany

  • *frank.herklotz@smn.uio.no

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Vol. 92, Iss. 15 — 15 October 2015

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