Publication
Physical Review Letters
Paper

Structure and properties of hydrogen-impurity pairs in elemental semiconductors

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Abstract

A variety of experiments have revealed several puzzling properties of hydrogen-impurity pairs. For example, H atoms passivate the electrical activity of some impurities, whereas they induce electrical activity in others; they appear to tunnel around some impurities but not around others. We report first-principles pseudopotential-density-functional calculations for several hydrogen-impurity complexes and unravel the origins and intricacies of the rich behavior of H bound to different substitutional impurities in Si and Ge. © 1989 The American Physical Society.

Date

17 Apr 1989

Publication

Physical Review Letters

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