TY - JOUR
T1 - Electronic structure and magnetism of metastable bcc Co(001)
AU - Lee, J. I.
AU - Fu, C. L.
AU - Freeman, A. J.
N1 - Funding Information:
This work was supportedb y the National Science Foundation (DMR Grant No. DMR 85-18607 and through a computingg rantfrom its Office for Advanced Scientific Computing).W e thank T. Oguchi and B.I. Min for helpful discus- sions. One of us (J.I.L.) acknowledgefsi nancial supportf rom the Korean Sciencea nd Engineering Foundation and another (A.J.F.) thanks L.J. Varnerin for handlingt he editorial aspectso f this manuscrip-t includingt he anonymourse fereeing.
PY - 1986/11
Y1 - 1986/11
N2 - The electronic structure and magnetism of thin films of metastable bcc phase Co(001) consisting of one-, five- and nine-layers is determined by means of all-electron local spin density full potential linearized augmented plane wave (FLAPW) calculations at the lattice constant found for bcc Co stabilized on a GaAs substrate by Prinz. Band structure, surface states, density of states, charge and spin densities and contact hyperfine fields are presented. The center layer of the many-layer films yields a spin magnetic moment of 1.76μB which agrees well with results of bulk calculations for bcc Co. The surface layer has a moment (1.94μB) which is only 10% greater than the bulk value - in sharp contrast to the enhancement found for other transition metal surfaces [35% for Fe(001), 20% for Ni(001) and over 300% for Cr(001)]. Unlike these other transition metal surfaces, even the first layer below the surface layer in Co has the bulk magnetic moment - which indicates that the spin density, like the charge density, shows very short range screening of the surface-vacuum interface.
AB - The electronic structure and magnetism of thin films of metastable bcc phase Co(001) consisting of one-, five- and nine-layers is determined by means of all-electron local spin density full potential linearized augmented plane wave (FLAPW) calculations at the lattice constant found for bcc Co stabilized on a GaAs substrate by Prinz. Band structure, surface states, density of states, charge and spin densities and contact hyperfine fields are presented. The center layer of the many-layer films yields a spin magnetic moment of 1.76μB which agrees well with results of bulk calculations for bcc Co. The surface layer has a moment (1.94μB) which is only 10% greater than the bulk value - in sharp contrast to the enhancement found for other transition metal surfaces [35% for Fe(001), 20% for Ni(001) and over 300% for Cr(001)]. Unlike these other transition metal surfaces, even the first layer below the surface layer in Co has the bulk magnetic moment - which indicates that the spin density, like the charge density, shows very short range screening of the surface-vacuum interface.
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U2 - 10.1016/0304-8853(86)90739-0
DO - 10.1016/0304-8853(86)90739-0
M3 - Article
AN - SCOPUS:0022807956
SN - 0304-8853
VL - 62
SP - 93
EP - 100
JO - Journal of Magnetism and Magnetic Materials
JF - Journal of Magnetism and Magnetic Materials
IS - 1
ER -