Growth behavior of La @Si n (n=1-21) metal-encapsulated clusters |
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| Authors: | Peng Qi Shen Jiang |
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| Institution: | Institute of Applied Physics, University of Science and Technology Beijing, Beijing 100083, People's Republic of China. alic_dog@yahoo.com.cn |
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| Abstract: | Density functional theory involving generalized gradient approximation correlation functional is used to investigate the cluster series La @Si n (n=1-21). We find that the growth process of La @Si n (n=1-21) could be divided into three stages: First, La atom adheres to other Si atoms in the size range of 1
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