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Structures, stabilities and electronic properties of FePbn (n=1–14) clusters: Density-functional theory investigations

✍ Scribed by Yu-Jie Bai; Hai-Ying Cheng; Hou-Qian Sun; Ning Xu; Kai-Ming Deng

Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
680 KB
Volume
406
Category
Article
ISSN
0921-4526

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The host Ga n þ 1 and doped Ga n Nb (n ¼ 1-9) clusters with several spin configurations have been systematically investigated by a relativistic density functional theory (DFT) with the generalized gradient approximation. The optimized equilibrium geometries tend to prefer the close-packed configurat