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http://hdl.handle.net/10397/5379
Title: | Exchange interaction function for spin-lattice coupling in bcc iron | Authors: | Wang, H Ma, PW Woo, CH |
Issue Date: | 1-Oct-2010 | Source: | Physical review. B, Condensed matter and materials physics, 1 Oct. 2010, v. 82, no. 14, 144304, p. 1-8 | Abstract: | Functional representations of the spin polarization and the exchange interaction in terms of the lattice configuration is necessary to model the dynamics of the coupled spin and lattice subsystems in large-scale atomistic simulation of magnetic materials. Data needed for this purpose have only existed in the regime of small displacements from the equilibrium perfect lattice configurations. In this paper, we report and discuss the results of our first-principles calculations for bcc iron over a wide range of lattice constants using the magnetic force theorem and the one-electron Green’s function. Despite the relatively complex functional form of the exchange interaction function for bcc iron our results show that it can be expressed as a superposition of Bethe-Slater-type curves representing interatomic exchange interaction of the 3d electrons. | Keywords: | Ab initio calculations Electron spin polarisation Exchange interactions (electron) Ferromagnetic materials Ferromagnetic resonance Green's function methods Heisenberg model Iron Lattice constants Spin Hamiltonians Spin waves Spin-phonon interactions |
Publisher: | American Physical Society | Journal: | Physical review. B, Condensed matter and materials physics | ISSN: | 1098-0121 | EISSN: | 1550-235X | DOI: | 10.1103/PhysRevB.82.144304 | Rights: | Physical Review B © 2010 The American Physical Society. The Journal's web site is located at http://prb.aps.org/ |
Appears in Collections: | Journal/Magazine Article |
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File | Description | Size | Format | |
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Wang_Spin-lattice_Bcc_Iron.pdf | 1.04 MB | Adobe PDF | View/Open |
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