Electronic Resource
[S.l.]
:
American Institute of Physics (AIP)
Journal of Applied Physics
89 (2001), S. 7080-7082
ISSN:
1089-7550
Source:
AIP Digital Archive
Topics:
Physics
Notes:
Calculations of structural and electronic properties of hexagonal Fe/Ru multilayers, as well as of pure Fe and Ru metals, were performed using the spin-polarized density functional technique. Apart from the conventional hexagonal AB stacking of close-packed planes, an AB′ stacking with atoms in a B′ plane shifted over the triangle edges formed by atoms in an A plane was examined in the Fe part of the multilayers. It was concluded that the most stable solution is a ferromagnetic configuration with an AB′ stacking within Fe layers with the axial ratio cFe/aRu=1.47 and with an AB stacking in Ru layers with cRu/aRu=1.60. Interfacial interdiffusion effects and antiferromagnetic order were also investigated in connection with the reported disappearance of a magnetism at the Fe/Ru interfaces. The equilibrium lattice parameters of hexagonal close-packed Fe metal, aFe=2.44 Å, cFe/aFe=1.60, were obtained for a nonmagnetic state. At an only slightly larger lattice constant an antiferromagnetic state appears. For bulk Ru the parameters aRu=2.73 Å, cRu/aRu=1.58 were found for a nonmagnetic phase with the onset of antiferromagnetism beginning at highly dilated interatomic distances. © 2001 American Institute of Physics.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.1358826
Permalink
|
Location |
Call Number |
Expected |
Availability |