Theory of hydrogen-impurity complexes in semiconductors

Abstract

In this review of theory, the focus will be on a collection of hydrogen-containing complexes of current interest and controversy, with more general implications summarized where appropriate. In particular, I will include hydrogen complexes with single donors and acceptors in silicon and compound semiconductors, and with double donors and acceptors in silicon. Also, included is a brief discussion of the hydrogen-vacancy and hydrogen-molecule systems in silicon. The phenomena of interest include the equilibrium geometries, and the motion of the impurities as they vibrate, reorient, and dissociate within the solid. These characteristics are described as calculated using quantum mechanical methods; hence, electronic-structure methods are summarized as well.