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Geometries, stabilities, and magnetic properties of () clusters: Density functional theory study

✍ Scribed by Die Dong; Xiao-Yu Kuang; Jian-Jun Guo; Ben-Xia Zheng


Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
648 KB
Volume
389
Category
Article
ISSN
0378-4371

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The host Ga n ΓΎ 1 and doped Ga n Nb (n ΒΌ 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