Hydrogen Effect in Lead Selenide
John Wiley & Sons, Inc.
A relativistic scattered‐wave formalism based on the one‐electron Dirac equation is used to calculate the electronic structure of PbSe clusters both with and without point defects. The specific defects considered are vacancies, and substitutional and interestitial hydrogen atoms. The results show that the experimentally observed change in the electrical conductivity of PbSe upon exposure to atomic hydrogen is only compatible with hydrogen occupying the Pb vacancy.
C.Y. Yang and S. Rabii, “Hydrogen Effect in Lead Selenide,” International Journal of Quantum Chemistry S10, 313- 318 (1976).