Constrained density functional theory for first principles spin dynamics
Constrained density functional theory is used to formulate a theory of general noncollinear spin systems which makes it possible to implement first principles spin dynamics in a manner that is firmly ...
Constrained density functional theory is used to formulate a theory of general noncollinear spin systems which makes it possible to implement first principles spin dynamics in a manner that is firmly ...
First principles theory of spin waves in Fe, Co, and Ni
Using constrained local spin density functional theory it is possible to directly calculate the adiabatic magnon dispersion curve. Small amplitude magnons with wavelengths between 2 and 32 atomic laye...
Using constrained local spin density functional theory it is possible to directly calculate the adiabatic magnon dispersion curve. Small amplitude magnons with wavelengths between 2 and 32 atomic laye...
First-principles exchange interactions in Fe, Ni, and Co
J. Appl. Phys. 85, 4827 (1999); doi:10.1063/1.370495
Issue Date: 15 April 1999
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Using a multiple-scattering approach and the local-density and rigid-spin approximations, the exchange interactions are calculated for Fe, Ni, and Co, and the spin-wave spectrum obtained. The interactions contributing to the spin-wave spectrum are found to be rather long-ranged. The exchange parameters are calculated as a function of band filling, and predict transition to antiferromagnetic behavior for electron-deficient alloys of bcc Fe and fcc Co. ©1999 American Institute of Physics.
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KEYWORDS and PACS
IRON,
NICKEL,
COBALT,
EXCHANGE INTERACTIONS,
SPIN WAVES,
ELECTRON DENSITY,
MULTIPLE SCATTERING,
PHASE TRANSFORMATIONS,
FERROMAGNETIC MATERIALS,
exchange interactions (electron),
ferromagnetic-antiferromagnetic transitions,
band structure,
density functional theory
- 75.30.Et
Magnetic properties and materials Intrinsic properties of magnetically ordered materials Exchange and superexchange interactions - 75.30.Ds
Magnetic properties and materials Intrinsic properties of magnetically ordered materials Spin waves - 75.30.Kz
Magnetic properties and materials Intrinsic properties of magnetically ordered materials Magnetic phase boundaries (including magnetic transitions, metamagnetism, etc.) - 71.20.Be
Electronic structure Electron density of states and band structure of crystalline solids Transition metals and alloys - 71.15.Mb
Electronic structure Methods of electronic structure calculations Density functional theory, local density approximation - 75.50.Bb
Magnetic properties and materials Studies of specific magnetic materials Fe and its alloys - 75.50.Cc
Magnetic properties and materials Studies of specific magnetic materials Other ferromagnetic metals and alloys - YEAR: 1999
PUBLICATION DATA
0021-8979 (print)
1089-7550 (online)
AIP
REFERENCES (9)
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