Sokrates T. Pantelides
Physical Review B
Passivation of shallow impurities by H has been attributed to H-impurity pairing in both p-type and n-type Si. We show that existing interpretations of data were based on contradictory assumptions and that a coherent interpretation of all the data can only be obtained if one assumes that diffusing H has a donor level in the gap. A novel interpretation emerges: In p-type material, passivation is due to direct compensation, so that pairing is a consequence, not a cause of passivation; in n-type material, passivation is indeed due to pairing, but is suppressed by H2 formation and possibly other reactions. Several predictions are made and new experiments are proposed as tests.
Sokrates T. Pantelides
Physical Review B
Sokrates T. Pantelides, Massimiliano Di Ventra, et al.
Physica B: Condensed Matter
Roberto Car, Paul J. Kelly, et al.
Physical Review Letters
Dimitris Maroudas, Sokrates T. Pantelides
Chemical Engineering Science