Dong, Die; Kuang, Xiao-Yu; Guo, Jian-Jun; Zheng, Ben-Xia - In: Physica A: Statistical Mechanics and its Applications 389 (2010) 22, pp. 5216-5222
The geometries, stabilities, and magnetic properties of Cr@Aun (n=1–8) clusters have been studied by means of a density functional method PW91P86 and a LanL2DZ basis set. It is found that the Cr atom in the lowest energy Cr@Aun isomers tend to occupy the most highly coordinated position and...