J Kubler et al 1988 J. Phys. F: Met. Phys. 18 469 doi:10.1088/0305-4608/18/3/018
Density functional theory of non-collinear magnetism
J Kubler, K -H Hock, J Sticht and A R Williams
Show affiliationsThe authors formulate a density functional theory (DF) to describe non-collinear magnetism. Self-consistent, spin-polarised energy-band calculations based on the local approximation to DF theory are presented in which the magnetisation associated with different atoms in a unit cell is allowed to point along different, non-collinear directions. Non-self consistent calculations employing non-collinear quantisation axes have been presented before; the present calculations are, they believe, distinguished by: first, being self-consistent; second, providing the total energy; and third, providing the spin-quantisation axes. In their first applications they deal with the non-collinear antiferromagnets gamma -FeMn, RhMn3, and PtMn3 and show that their total energies are minimised in the tetrahedral (FeMn) or triangular (RhMn3, PtMn3) magnetic structures first proposed by Kouvel and Kasper (1963).
- PACS
-
71.15.Mb Density functional theory, local density approximation, gradient and other corrections
75.60.Ej Magnetization curves, hysteresis, Barkhausen and related effects
- Subjects
- Dates
-
Issue 3 (March 1988)
-
Density functional theory of non-collinear magnetism
J Kubler et al 1988 J. Phys. F: Met. Phys. 18 469
-
Iterative and range test methods for an inverse source problem for acoustic waves
Carlos Alves et al 2009 Inverse Problems 25 055005
-
A hybrid method for two-dimensional crack reconstruction
Rainer Kress and Pedro Serranho 2005 Inverse Problems 21 773
-
A hybrid method for inverse scattering for shape and impedance
Pedro Serranho 2006 Inverse Problems 22 663
-
Reduced-order constrained optimization in IMRT planning
Renzhi Lu et al 2008 Phys. Med. Biol. 53 6749
-
Reduced-order parameter optimization for simplifying prostate IMRT planning
Renzhi Lu et al 2007 Phys. Med. Biol. 52 849
-
Focus on Graphene
N M R Peres and Ricardo M Ribeiro 2009 New J. Phys. 11 095002
-
An Au/Si hetero-nanorod-based biosensor for Salmonella detection
Junxue Fu et al 2008 Nanotechnology 19 155502
-
Efficient degradation and expression prioritization with small RNAs
Namiko Mitarai et al 2007 Phys. Biol. 4 164
-
Timelike Killing fields and relativistic statistical mechanics
David Klein and Peter Collas 2009 Class. Quantum Grav. 26 045018
Users also read
What's this?- Magnetic structure of FCC iron
- A local exchange-correlation potential for the spin polarized case. i
- Symmetrised method for the calculation of the band structure of noncollinear magnets
Related review articles
What's this?-
methods in electronic structure calculations
- Calculation of dispersion energies
- Correlation effects in transition metals and their alloys studied using the fully self-consistent KKR-based LSDA + DMFT scheme