Exploration of the Structural, Electronic and Tunable Magnetic Properties of Cu4M (M = Sc-Ni) Clusters

Exploration of the Structural, Electronic and Tunable Magnetic Properties of Cu4M (M = Sc-Ni) Clusters

The structural, electronic and magnetic properties of Cu4M (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 Cu4M clusters favor the most highly coo...

Full description

Bibliographic Details
Main Authors: Dong Die, Ben-Xia Zheng, Xiao-Yu Kuang, Zheng-Quan Zhao, Jian-Jun Guo, Quan Du
Format: Article
Language:English
Published: MDPI AG 2017-08-01
Series:Materials
Subjects:
geometrical structure
electronic property
magnetic moment
Cu4M (M = Sc-Ni) cluster
Online Access:https://www.mdpi.com/1996-1944/10/8/946

Internet

https://www.mdpi.com/1996-1944/10/8/946

Similar Items