No quenching of magnetic moment for the GenCo (n=1-13) clusters: first-principles calculations.
The authors predict that for the Ge(n)Co (n=1-13) clusters the magnetic moment does not quench, which is dark contrast to the previous results with transition-metal-doped Si(n) clusters. It may be due to the unpaired electrons of the Co atom in the clusters. For the ground state structures of the Ge(n)Co (n>or=9) clusters, the Co atom completely falls into the center of the Ge outer frame, forming metal-encapsulated Ge(n) cages. The doping of the Co atom enhances the stability of the host Ge(n) clusters. The Ge(10)Co cluster with the bicapped tetragonal antiprism structure is more stable than others, which agrees very well with the results of the experiment of the Co/Ge binary clusters by the laser vaporization.
Jing
Qun
Q
Institute of Computational Materials Science, School of Physics and Electronics, Henan University, Kaifeng 475004, People's Republic of China.
Tian
Fu-yang
FY
Wang
Yuan-xu
YX