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Density functional study on structures, stabilities, electronic and magnetic properties of NbnO (n=3–10) clusters

✍ Scribed by Wang, Huai-Qian; Li, Hui-Fang


Book ID
118270102
Publisher
Elsevier
Year
2013
Tongue
English
Weight
682 KB
Volume
1006
Category
Article
ISSN
2210-271X

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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