Torsion- and spin-density-functional theory for non-collinear magnetic systems

We present a torsion- and spin-density-functional theory by introducing torsion fields, which are produced by a spiral spin system, into the non-collinear magnetic system. Our approach extends the application of the spin-density-functional theory to the non-collinear magnetic systems. The new techni...

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Bibliographic Details
Published in:Solid state communications 2001-10, Vol.120 (5), p.233-236
Main Authors: Luo, S.J., Yao, K.L.
Format: Article
Language:English
Subjects:
A. Disordered systems
Applied sciences
B. Non-collinear magnetic system
C. Density-functional
Condensed matter: electronic structure, electrical, magnetic, and optical properties
D. Spin dynamics
Density functional theory, local density approximation
E. Neutron scattering
Electron states
Exact sciences and technology
General theory and models of magnetic ordering
Magnetic properties and materials
Metals. Metallurgy
Methods of electronic structure calculations
Physics
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Summary:We present a torsion- and spin-density-functional theory by introducing torsion fields, which are produced by a spiral spin system, into the non-collinear magnetic system. Our approach extends the application of the spin-density-functional theory to the non-collinear magnetic systems. The new technique is demonstrated by the calculations of spin spiral ground state of γ-Fe employing the generalized gradient approximation; and we find the ground state at q =(2 π/a)(0.15,0,1), which is in very good agreement with the experimental value.
ISSN:0038-1098
1879-2766
DOI:10.1016/S0038-1098(01)00376-3