The energetics of hydrogen atoms interacting with a cluster model of -Fe, having a stacking fault zone, have been investigated. The system energy is calculated using the atom superposition and electron delocalization molecular orbital (ASED-MO) method. By modifying the geometrical positions of the impurity within the cluster we found that H occupies nearly octahedral sites on a stacking fault plane. A second H residing near the former and the possible formation of H-H pairing is also addressed. The relative stability of H-H pairs in the iron matrix is compared with that of the molecule, in the vacuum.
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