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- Bergman, Anders, 1978-, et al.
(författare)
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Magnon softening in a ferromagnetic monolayer : A first-principles spin dynamics study
- 2010
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Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 81:14, s. 144416-
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Tidskriftsartikel (refereegranskat)abstract
- We study the Fe/W(110) monolayer system through a combination of first-principles calculations and atomistic spin dynamics simulations. We focus on the dispersion of the spin-waves parallel to the [001] direction. Our results compare favorably with the experimental data of Prokop et al. [Phys. Rev. Lett. 102, 177206 (2009)] and correctly capture a drastic softening of the magnon spectrum, with respect to bulk bcc Fe. The suggested shortcoming of the itinerant electron model, in particular that given by density functional theory, is refuted. We also demonstrate that finite-temperature effects are significant, and that atomistic spin dynamics simulations represent a powerful tool with which to include these.
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2. |
- Kadas, Krisztina, et al.
(författare)
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Structural properties of amorphous metal carbides : Theory and experiment
- 2012
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Ingår i: Acta Materialia. - : Elsevier BV. - 1359-6454 .- 1873-2453. ; 60:12, s. 4720-4728
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Tidskriftsartikel (refereegranskat)abstract
- By means of theoretical modeling and experimental synthesis and characterization, we investigate the structural properties of amorphous Zr-Si-C. Two chemical compositions are selected: Zr0.31Si0.29C0.40 and Zr0.60Si0.33C0.07. Amorphous structures are generated in the theoretical part of our work by the stochastic quenching (SQ) method, and detailed comparison is made regarding the structure and density of the experimentally synthesized films. These films are analyzed experimentally using X-ray absorption spectroscopy, transmission electron microscopy and X-ray diffraction. Our results demonstrate a remarkable agreement between theory and experiment concerning bond distances and atomic coordination of this complex amorphous metal carbide. The demonstrated power of the SQ method opens up avenues for theoretical predictions of amorphous materials in general.
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