Pairs of 3d impurities in Au: local moments and exchange coupling from first-principles

The magnetic properties of magnetic multilayers are studied using first principles total energy calculations. In this paper we present our results for bcc Fe multilayers with a (001) stacking direction. Using Nb as a spacer material we find an oscillating exchange coupling with a period of about 4.6 Å( ≈3 Nb monolayers). A detailed study of the magetic moments in the Nb spacer is given. Furthermore we discuss the dependence of the exchange coupling strength as a function of the thickness of the Fe slabs.

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Ab initio calculations of the magnetic properties of TM (Ti, V)-doped zinc-blende ZnO

International Journal of Modern Physics B ◽

10.1142/s021797921850025x ◽

2018 ◽

Vol 32 (03) ◽

pp. 1850025 ◽

Cited By ~ 7

Author(s):

F. Goumrhar ◽

L. Bahmad ◽

O. Mounkachi ◽

A. Benyoussef

Keyword(s):

Magnetic Properties ◽

First Principles ◽

Exchange Coupling ◽

Local Density ◽

Density Approximation ◽

Potential Approximation ◽

Half Metallic ◽

Suitable Material ◽

Zinc Blende ◽

Exchange Coupling Interaction

In order to promote suitable material to be used in spintronics devices, this study purposes to evaluate the magnetic properties of the titanium and vanadium-doped zinc-blende ZnO from first-principles. The calculations of these properties are based on the Korringa–Kohn–Rostoker (KKR) method combined with the coherent potential approximation (CPA), using the local density approximation (LDA). We have calculated and discussed the density of states (DOSs) in the energy phase diagrams for different concentration values, of the dopants. We have also investigated the magnetic and half-metallic properties of this doped compound. Additionally, we showed the mechanism of the exchange coupling interaction. Finally, we estimated and studied the Curie temperature for different concentrations.

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Magnetic nanoscale laminates with tunable exchange coupling from first principles

Physical Review B ◽

10.1103/physrevb.84.220403 ◽

2011 ◽

Vol 84 (22) ◽

Cited By ~ 54

Author(s):

M. Dahlqvist ◽

B. Alling ◽

I. A. Abrikosov ◽

J. Rosen

Keyword(s):

First Principles ◽

Exchange Coupling

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ITINERANT ELECTRON MAGNETISM, LOCAL MOMENTS AND THE ONSAGER CAVITY FIELD

International Journal of Modern Physics B ◽

10.1142/s0217979293001207 ◽

1993 ◽

Vol 07 (01n03) ◽

pp. 570-578 ◽

Cited By ~ 1

Author(s):

B.L. GYORFFY ◽

J.B. STAUNTON

Keyword(s):

Conceptual Framework ◽

First Principles ◽

Paramagnetic State ◽

First Principles Calculation ◽

Local Moment ◽

Itinerant Electron ◽

Cavity Field ◽

Local Moments ◽

Curie Temperatures

We review the disordered local moment picture of itinerant electron paramagnets. Noting its failure to describe Ni in a first principles calculation we develop the conceptual framework to include an account of the Onsager cavity field in the paramagnetic state. We illustrate the resulting theory by explicit calculations for the Curie temperatures TcFe and TcNi and the susceptibilities χFe(q) andχNi(q).

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