Title :
Magnetic properties of CoSi clusters
Author :
Jo, Chulsu ; Kim, D.C. ; Lee, J.I.
Author_Institution :
Dept. of Phys., Inha Univ., Incheon, South Korea
Abstract :
The magnetic properties of a distorted hexagonal and an icosahedral Co6Si6 cluster, and distorted hexagonal Co4Si8 and Co8Si4 clusters are investigated using ab initio calculations method. The highest occupied molecular orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gap, amount of charge transfer, and magnetic moment using the SIESTA code are found. The results indicate that the Co6Si6 cluster with icosahedral structure is more stable than the one with distorted hexagonal prism structure, where the total energy difference is 1.57 eV.
Keywords :
ab initio calculations; charge exchange; cobalt alloys; crystal structure; energy gap; magnetic moments; metal clusters; silicon alloys; Co4Si8; Co6Si6; Co8Si6; SIESTA code; ab initio calculations; charge transfer; distorted hexagonal prism; highest occupied molecular orbital-lowest unoccupied molecular orbital gap; icosahedral cluster structure; magnetic moment; magnetic properties; total energy difference; Atomic layer deposition; Charge transfer; Fault location; Glow discharges; Magnetic moments; Magnetic properties; Physics; Semiconductor devices; Silicides; Substrates;
Conference_Titel :
Magnetics Conference, 2005. INTERMAG Asia 2005. Digests of the IEEE International
Print_ISBN :
0-7803-9009-1
DOI :
10.1109/INTMAG.2005.1463959
