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All of the Fe2CoC or Fe2NiC (0 0 1) surface atoms relax towards the bulklike layer, and the relaxation-caused normal-direction displacement (RCNDD) of the (0 0 1) surface C atom is maximal. And the Fe¨CC covalent bond of the (0 0 1) surface layer is stronger. »¹ÓоÍÊÇÕâ¸örelaxÔõô·Ò룬rcnddÊÇʲô£¿ÎÒÊǸÕÈëÃŵIJËÄñ£¬ÇóÖ¸½Ì£¬°Ýл relaxÊdzÚÔ¥£¬ÓÐʱºò¿ÉÒÔÀí½âΪÓÅ»¯£¬rcnndÊdzÚÔ¥ÒýÆðµÄÎ»ÒÆ~Ó¦¸ÃÊÇÕâÑùµÄ~ |
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