Equilibrium structure and bonding of small iron–carbon clusters
نویسندگان
چکیده
منابع مشابه
Structure and bonding of small semiconductor clusters.
We calculate the geometrical and electronic structure of small Sin, Sin +, and Sin clusters up to sites n = 14 within a combined tight-binding-density-functional-theory scheme. Especially stable structures for n = 6 and 10 coincide with observed abundancies in the experimental mass spectra. All equilibrium structures are found to be close packed, with a different bonding than found in the bulk ...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 1996
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.472901