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Exploration of the Structural, Electronic and Tunable Magnetic Properties of Cu(4)M (M = Sc-Ni) Clusters

The structural, electronic and magnetic properties of Cu(4)M (M = Sc-Ni) clusters have been studied by using density functional theory, together with an unbiased CALYPSO structure searching method. Geometry optimizations indicate that M atoms in the ground state Cu(4)M clusters favor the most highly...

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Detalles Bibliográficos
Autores principales:	Die, Dong, Zheng, Ben-Xia, Kuang, Xiao-Yu, Zhao, Zheng-Quan, Guo, Jian-Jun, Du, Quan
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2017
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5578312/ https://www.ncbi.nlm.nih.gov/pubmed/28809794 http://dx.doi.org/10.3390/ma10080946

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