Magnetic properties of CoSi clusters

Author

Jo, Chulsu ; Kim, D.C. ; Lee, J.I.

Author_Institution

Dept. of Phys., Inha Univ., Incheon, South Korea

fYear

2005

fDate

4-8 April 2005

Firstpage

1059

Lastpage

1060

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;

fLanguage

English

Publisher

ieee

Conference_Titel

Magnetics Conference, 2005. INTERMAG Asia 2005. Digests of the IEEE International

Print_ISBN

0-7803-9009-1

Type

conf

DOI

10.1109/INTMAG.2005.1463959

Filename

1463959