Exchange of deeply trapped and interstitial hydrogen in silicon
نویسندگان
چکیده
Using ab initio density-functional calculations, we examine possible exchange mechanisms between an interstitial hydrogen atom and a deeply bound H at a silicon-hydrogen bond. We determine a low-energy pathway for exchange, which involves an intermediate, metastable [SiH2 complex with both hydrogen atoms strongly bound to the silicon atom. The energy barrier for the exchange process is Eex,0.2 eV, consistent with observations of hydrogen-deuterium exchange in a-Si:H(D) films. @S0163-1829~99!04507-5#
منابع مشابه
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