Magnetic enhancement and magnetic reduction in binary clusters of transition metal atoms.
Electronic and magnetic properties of small binary clusters containing one or two transition metal atoms are investigated using ab initio calculations with a view to explain the experimentally observed magnetic enhancement/reduction in these systems. As the present investigations do not rely on spin-orbit effects, our results reveal the enhancement or reduction in the magnetic moment to depend on two main factors; namely geometry and, most importantly, the d-band filling. The results can be used as a guide in the experimental synthesis of high density magnetic grains.
Institute of Electronic Structure and Laser, Foundation for Research and Technology-Hellas, P.O. Box 1527, 71110 Heraklio, Crete, Greece. andriot@ies1.forth.gr
Antonis N
AN
Andriotis
Giannis
G
Mpourmpakis
George E
GE
Froudakis
Madhu
M
Menon