From the bulk to monatomic wires: An ab-initio study of magnetism in Co systems with various dimensionality

Details From the bulk to monatomic wires: An ab-initio study of magnetism in Co systems with various dimensionality From the bulk to monatomic wires: An ab-initio study of magnetism in Co systems with various dimensionality

2002-07-23

arxiv.org/abs/cond-mat/0207561v1

Physics

Condensed Matter

Materials Science

Scientific paper

10.1103/PhysRevB.66.140407

A systematic ab-initio study within the framework of the local-spin-density approximation including spin-orbit coupling and an orbital-polarization term is performed for the spin and orbital moments and for the X-ray magnetic circular dichroism (XMCD) spectra in hcp Co, in a Pt supported and a free standing Co monolayer, and in a Pt supported and a free standing monatomic Co wire. When including the orbital-polarization term, the orbital moments increase drastically when going to lower dimensionality, and there is an increasing asymmetry between the L_2 and L_3 XMCD signal. It is shown that spin and orbital moments can be obtained with good accuracy from the XMCD spectra via the sum rules. The term of the spin sum rule is surprisingly small for the wires, and the reason for this is discussed.

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