M. Di Ventra, N.D. Lang, et al.
Chemical Physics
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.
M. Di Ventra, N.D. Lang, et al.
Chemical Physics
S.T. Pantelides
ICDS 1984
W. Krakow, A.A. Levi, et al.
Journal of Materials Research
J.H. Stathis, S.T. Pantelides
Physical Review B