A local environment description of hyperfine fields and atomic moments in Fe3−TSi alloys

Niculescu, Violeta; Burch, T. J.; Budnick, J. I.

doi:10.1016/0304-8853(83)90084-7

Cited by 155 publications

(76 citation statements)

References 48 publications

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“…In line with the interpretation of the additional main lines in Co 2 FeAl (Refs. 18 and 21) and Co 2 FeSi, 16,20 the observation of the four main resonance lines in Co 2 FeAl 0.5 Si 0.5 might point to an intermixing of Fe with the Z þ Z 0 atoms and therefore to contributions from the B2 type structure. From a crystallographic point of view, the entire random distribution of Y and Z atoms on the Wyckoff 1a position (the former 4a and 4b positions of the L2 1 structure, space group Fm 3m) of the Pm 3m space group is the basic requirement of the B2 structure, while an entire preferential order would lead to a different structure type and a different space group.…”

Section: Linementioning

confidence: 96%

59Co nuclear magnetic resonance study of the local distribution of atoms in the Heusler compound Co2FeAl0.5Si0.5

Wurmehl

Swagten

Koopmans

2012

Journal of Applied Physics

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NMR and conductivity studies of the mixed glass former effect in lithium borophosphate glasses J. Chem. Phys. 137, 124507 (2012) New simulation approach using classical formalism to water nuclear magnetic relaxation dispersions in presence of superparamagnetic particles used as MRI contrast agents J. Chem. Phys. 137, 114505 (2012) Relationship between mesoscale dynamics and shear relaxation of ionic liquids with long alkyl chain J. Chem. Phys. 137, 104511 (2012) Features of influence of dc magnetic field pulses on a nuclear spin echo in magnets Low Temp. Phys. 38, 466 (2012) Additional information on J. Appl. Phys. In this work, the spin-echo nuclear magnetic resonance (NMR) technique is used to probe the local structure of Co 2 FeAl 0.5 Si 0.5 bulk samples. The 59 Co NMR spectrum of the Heusler compound Co 2 FeAl 0.5 Si 0.5 consists of four main resonance lines with an underlying sub-structure. The splitting into the main resonance lines is explained by contributions of the B2 type structure. The sub-lines are attributed to a random distribution of Al and Si. By comparing the experimental results with an appropriate multinomial distribution, the fraction of the Al/Si intermixing and the ratio between the contributing structure types is assigned. The main structural contribution of as-cast bulk samples is of B2 type with 38% of L2 1 contributions. The L2 1 contribution can be enhanced to 59% by an appropriate annealing process. However, B2 contributions are still present after annealing. Additional foreign phases such as fcc-Co and Co-Al, with relative contributions of less than one percent, are also found in both as-cast and annealed samples. Resonance lines related to slight amounts of the ternary, parental Heusler compounds Co 2 FeAl and Co 2 FeSi are also observed.

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Section: Linementioning

confidence: 96%

59Co nuclear magnetic resonance study of the local distribution of atoms in the Heusler compound Co2FeAl0.5Si0.5

Wurmehl

Swagten

Koopmans

2012

Journal of Applied Physics

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“…In early papers [1][2][3][4][5] it was shown that when iron is substituted for another 3d transition metal this metal locates preferentially in one of the two iron positions. The suggested rule was rather simple: the metals to the left from iron in periodic table of elements locate at B-sites while the ones to the right of iron -at (A, C)-sites.…”

Section: Introduction: Preferential Occupation Of Sitesmentioning

confidence: 99%

Magnetic Properties of DO₃-Type Alloys Based on Fe₃Si and Fe₃Al

Parzych

Jankowska-Kisielińska

Dobrzyński

2010

Acta Phys. Pol. A

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The interest in magnetic properties of DO 3 -type alloys stems from their ability to exhibit dependence of magnetic moments on local environment. It is shown that both, static and dynamic properties of the alloys based on Fe 3 Si and Fe 3 Al require further investigations. This concerns mainly the problem of selective substitution of chromium for iron, as well as spin dynamics, the latter problem is illustrated on the example of measured spin waves in Sendust.

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“…Among early studies of the Fe-based alloys, a note may be made of the work on FeAl, [2][3][4] FeSi, 5,6 Fe 3 Al, 7,8 Fe 3 Si, 9,10 and some compounds. [11][12][13] Niculescu et al 14 give an extensive review of Fe 3−x T x Si alloys for various transition metals T. The electronic structure of the Heusler compounds can range from metallic to semimetallic or semiconducting. A number of cases of half-metallic ferromagnetic phases, where the system is metallic for one spin direction and semiconducting for the other, 15,16 have been identified.…”

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confidence: 99%

“…14) which holds that the Fe moment scales with the number of Fe atoms in the nearest neighbor (nn) shell. The dilution of Fe(B) with non-magnetic V atoms in Fe 3 Si will then yield a linear decrease in the Fe(A,C) moment, while the Fe(B) moment remains unchanged.…”

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confidence: 99%

Electronic structure and magnetism ofFe3−xVxX
Bansil
¹
,
Kaprzyk
²
,
Mijnarends
³

et al. 1999
Phys. Rev. B

377

250

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We present first principles charge-and spin-selfconsistent electronic structure computations on the Heusler-type disordered alloys Fe 3−x V x X for three different metalloids X= (Si, Ga and Al). In these calculations we use the methodology based on the Korringa-Kohn-Rostoker formalism and the coherent-potential approximation (KKR-CPA), generalized to treat disorder in multi-component complex alloys. Exchange correlation effects are incorporated within the local spin density (LSD) approximation. Total energy calculations for Fe 3−x V x Si show that V substitutes preferentially on the Fe(B) site, not on the Fe(A,C) site, in agreement with experiment. Furthermore, calculations have been carried out for Fe 3−x V x X alloys (with, x = 0.25, 0.50 and 0.75), together with the end compounds Fe 3 X and Fe 2 VX, and the limiting cases of a single V impurity in Fe 3 X and a single Fe(B) impurity in Fe 2 VX. We delineate clearly how the electronic states and magnetic moments at various sites in Fe 3−x V x X evolve as a function of the V content and the 1 metalloid valence. Notably, the spectrum of Fe 3−x V x X (X=Al and Ga) develops a pseudo-gap for the majority as well as minority spin states around the Fermi energy in the V-rich regime which, together with local moments of Fe(B) impurities, may play a role in the anomalous behavior of the transport properties. The total magnetic moment in Fe 3−x V x Si is found to decrease non-linearly, and the Fe(B) moment to increase with increasing x; this is in contrast to expectations of the 'local environment' model, which holds that the total moment should vary linearly while the Fe(B) moment should remain constant. The common-band model which describes the formation of bonding and antibonding states with different weights on the different atoms, however, provides insight into the electronic structure of this class of compounds.

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A local environment description of hyperfine fields and atomic moments in Fe3−TSi alloys

Cited by 155 publications

References 48 publications

59Co nuclear magnetic resonance study of the local distribution of atoms in the Heusler compound Co2FeAl0.5Si0.5

59Co nuclear magnetic resonance study of the local distribution of atoms in the Heusler compound Co2FeAl0.5Si0.5

Magnetic Properties of DO₃-Type Alloys Based on Fe₃Si and Fe₃Al

Electronic structure and magnetism ofFe3−xVxX
Bansil
¹
,
Kaprzyk
²
,
Mijnarends
³

et al. 1999
Phys. Rev. B

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A local environment description of hyperfine fields and atomic moments in Fe3−TSi alloys

Cited by 155 publications

References 48 publications

59Co nuclear magnetic resonance study of the local distribution of atoms in the Heusler compound Co2FeAl0.5Si0.5

59Co nuclear magnetic resonance study of the local distribution of atoms in the Heusler compound Co2FeAl0.5Si0.5

Magnetic Properties of DO3-Type Alloys Based on Fe3Si and Fe3Al

Electronic structure and magnetism ofFe3−xVxXBansil1, Kaprzyk2, Mijnarends3 et al. 1999Phys. Rev. B

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Product

Resources

About

Magnetic Properties of DO₃-Type Alloys Based on Fe₃Si and Fe₃Al

Electronic structure and magnetism ofFe3−xVxX
Bansil
¹
,
Kaprzyk
²
,
Mijnarends
³

et al. 1999
Phys. Rev. B