Spin polarization of disordered Fe-Cr and Fe-Mn alloys

Куликов, Н. И.; Demangeat, C.

doi:10.1103/physrevb.55.3533

Cited by 61 publications

(43 citation statements)

References 56 publications

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“…However, this is a challenging task, and moreover, different theoretical reports predict different groundstates. [2][3][4] At the same time, the experimental data 1 indicate that a change of elastic constants upon the magnetic phase transition, i.e., between 400 and 600 K, is small ͑Ͻ11% ͒, which is within the general accuracy of calculating elastic constants by first-principles methods. 18,19 It is well known that the energetics of a magnetic alloy above the magnetic transition temperature is well described by the DLM model.…”

Section: ͑2͒mentioning

confidence: 59%

“…͑C 11 − C 12 ͒ / 2 is also independent of the Mn content, while C 11 and C 12 exhibit This is consistent with the previous work. 2 The behavior of the elastic constants can be understood based on the socalled magnetovolume effect 15 observed in our calculations. The strong dependence of local magnetic moments on lattice parameter ͑or volume͒, as shown in Fig.…”

Section: ͑2͒mentioning

confidence: 99%

“…1 There are several conflicting proposals for the noncollinear antiferromagnetic groundstate. [2][3][4] Another fascinating feature of the Fe-Mn alloys is their Invar-type behavior, giving rise to anomalous magnetization, thermal expansion, heat capacity, and elastic properties. 5 These random alloys are also interesting in conjunction with Mn-rich steels.…”

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confidence: 99%

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Elastic properties of Fe–Mn random alloys studied by ab initio calculations

Mušić

Takahashi

Vitos

et al. 2007

Applied Physics Letters

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We have studied the influence of the Mn content on the elastic properties of Fe–Mn random alloys (space group of Fmm) using ab initio calculations. The magnetic effects in Fe–Mn alloys have a strong influence on the elastic properties, even above the Néel temperature. As the Mn content is increased from 5 to 40 at. %, the C44 elastic constant is unaffected, while C11 and C12 decrease. This behavior can be understood based on the magnetovolume effect which softens the lattice. Since the amplitude of local magnetic moments is less sensitive to volume conserving distortions, the softening is not present during shearing.Original publication: Denis Music, Tetsuya Takahashi, Levente Vitos, Christian Asker, Igor A. Abrikosov and Jochen M. Schneider, Elastic properties of Fe–Mn random alloys studied by ab initio calculations, 2007, Applied Physics Letters, (91), 191904. Copyright: The America Institute of Physics, http://www.aip.org

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Section: ͑2͒mentioning

confidence: 59%

Section: ͑2͒mentioning

confidence: 99%

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Elastic properties of Fe–Mn random alloys studied by ab initio calculations

Mušić

Takahashi

Vitos

et al. 2007

Applied Physics Letters

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“…40 Experimentally it was found that the magnetic multilayers grown epitaxially shows an enhancement of the electronic contribution to the low-temperature specific heat. 41 Standard electronic band-structure calculations could not reproduce this enhancement, 42 which can be an evidence of the correlation effects. Our aim is to check whether the correlation effects considered in the EMTO-DMFT approach can lead to an essential renormalization of the density of states at the Fermi level N(E F ).…”

Section: E Feõcr Multilayermentioning

confidence: 99%

Ab initioelectronic structure calculations of correlated systems: An EMTO-DMFT approach

et al. 2003

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We propose a self-consistent method for electronic structure calculations of correlated systems, which combines the local spin-density approximation ͑LSDA͒ and the dynamical mean field theory ͑DMFT͒. The LSDA part is based on the exact muffin-tin orbital approach, meanwhile the DMFT uses a perturbation scheme that includes the T matrix with fluctuation exchange approximation. The current LSDAϩDMFT implementation fulfills both self-energy and charge self-consistency requirements. We present results on the electronic structure calculations for bulk 3d transition metals ͑Cr, Fe, and Ni͒ and for Fe/Cr magnetic multilayers. The latter demonstrates the importance of the correlation effects for the properties of magnetic heterostructures.

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“…These properties of Fe-Mn alloys have been studied theoretically by various research groups [6][7][8][9][10][11]. The role of theoretical calculations in the area of solid state research has expanded rapidly during the last few years.…”

Section: Introductionmentioning

confidence: 99%

Electronic properties of austenite and martensite Fe-9%Mn alloys

Uçgun

Ocak

2008

Open Physics

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Abstract:We calculate the electronic properties of austenite and martensite Fe-9%Mn alloys using the self consistent full-potential linearized-plane-wave method under the generalized gradient approximation full lattice relaxation. By minimizing total-energy, the lattice constants in their ground states were determined. We discuss the total energy dependence of the volume, and density of states (DOS). PACS

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Spin polarization of disordered Fe-Cr and Fe-Mn alloys

Cited by 61 publications

References 56 publications

Elastic properties of Fe–Mn random alloys studied by ab initio calculations

Elastic properties of Fe–Mn random alloys studied by ab initio calculations

Ab initioelectronic structure calculations of correlated systems: An EMTO-DMFT approach

Electronic properties of austenite and martensite Fe-9%Mn alloys

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