Energetics of aluminum-lithium clusters |
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| Authors: | Hai-Ping Cheng R N Barnett Uzi Landman |
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| Institution: | 1. School of Physics, Georgia Institute of Technology, 30332-0430, Atlanta, Georgia
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| Abstract: | Energetics and structures of small aluminum-lithium clusters were investigated using structure-minimization and dynamic simulated annealing on the Born-Oppenheimer surface, calculated via local-spin-density functional method. A transition from atomic-based characteristics forn≤5 to a perturbed delocalized electronic cluster-shell behavior forn≥6, containing an AiLi5 “core”, is suggested. |
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