Abstract
A hydrogen-related defect in ZnO which causes two broad IR absorption bands at 3303 and 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 accompanied by weaker sidebands at 2462 and . 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, , and ammonia trapped at the zinc vacancy, , are discussed as a possible origin for the complex.
2 More- Received 21 June 2015
DOI:https://doi.org/10.1103/PhysRevB.92.155203
©2015 American Physical Society