%A Nai-feng SHEN (沈乃丰), Yan-biao WANG (王彦彪), Sheng CHEN (陈昇), Jin-lan WANG (王金兰) %T Structural and magnetic properties of bimetallic Con-1Cr clusters with density functional theory %0 Journal Article %D 2009 %J Front. Phys. %J Frontiers of Physics %@ 2095-0462 %R 10.1007/s11467-009-0034-6 %P 408-414 %V 4 %N 3 %U {https://journal.hep.com.cn/fop/EN/10.1007/s11467-009-0034-6 %8 2009-09-05 %X

We have investigated the structural and magnetic properties of small bimetallic Con-1Cr (n = 2 - 9) clusters by means of spin-polarized density functional theory approach. We found the ground state structures of Con-1Cr were very similar to those of pure Conexcept n = 3,6. The clusters were of high stability at n = 6. Magnetic moments showed an interesting size-dependent variation: the magnetic moments of Con-1Cr can be obtained by minus 7μB for n = 2, 4, 6-9 or by plus 1μB for n = 5 from those of the Con counterparts. The different magnetic behavior stems from ferromagnetic alignment or ferrimagnetic alignment of Co and Cr atoms in Con-1Cr, associated with their longer or shorter interatomic distances.