From nonmagnetic semiconductor to itinerant ferromagnet in the TiNiSn-TiCoSn series

Pierre, J.; Skolozdra, R. V.; Gorelenko, Yu.; Kouacou, M. A.

doi:10.1016/0304-8853(94)90078-7

Cited by 77 publications

(41 citation statements)

References 21 publications

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“…The values of the magnetic moments depend on the position of transition metals in L21 cell. Recently, Pierre et al [13,14] studied the electronic and magnetic properties of Co2 _xNixTiSn and Coi_ x Nix oTiSn Heusler-type alloys. They observed that the magnetic moment decreased during the substitution of Co by Ni atoms and in the Ni2TiSn alloy the total magnetic moment went to zero.…”

Section: Introductionmentioning

confidence: 99%

“…They observed that the magnetic moment decreased during the substitution of Co by Ni atoms and in the Ni2TiSn alloy the total magnetic moment went to zero. In the Co1_xNix uTiSn systems Pierre et al [13,14] observed the transition from ferromagnetic metallic system (Co uTiSn) to paramagnetic semiconductor (Ni uTiSn). Here the symbol u denotes the vacancies.…”

Section: Introductionmentioning

confidence: 99%

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Electronic Structure and Magnetic Properties of Intermetallic Alloys

et al. 1997

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We present the influence of local ordering on the electronic and magnetic properties of Heusler-type alloys. The band structure and magnetic moments are calculated by ab initio spin-polarized tight binding linear muffin-tin orbital method. The calculated electronic density of states for Pd2TiAl alloy is similar to ultraviolet photoelectron spectroscopy measurements. The self-consistent band calculations showed that the density of states at the Fermi level in Ni2(Nb(1_x)Tix)Sn and Ni2(Nb(1_ x)Tax)Sn alloys decreased with the increase in Ti or Ta concentration. The total and local magnetic moments in ordered Rh2TMSn (TM = Mn, Fe, Co, Ni, Cu) and Rh2MnX (X = Al, Ga, In, Ge, Sb, Pb) Heusler-type alloys are calculated. The difference between theoretical and experimental results can be connected to the partial disorder in the samples.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Electronic Structure and Magnetic Properties of Intermetallic Alloys

et al. 1997

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“…20,21 It is often possible to substitute on a specific metal site in the lattice with other magnetic or non-magnetic atoms, thereby inducing continuous changes in physical characteristics. [22][23][24] In view of their tunable magnetic and transport properties, these compounds have attracted wide attention as potential electronic materials suitable for various applications. 25 With all this in mind, it is hardly surprising that Heusler-type compounds have been the subject of numerous theoretical and experimental studies over the years.…”

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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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“…The Heusler alloys Cu 2 MnAl and Cu 2 MnSn were firstly found by F. Heusler in 1903 [1], though there are no magnetic elements in the alloys, but they show magnetic characteristics. In 1969, a British P. Webster systematically studied the magnetic properties and crystal structure of the Heusler alloys for the first time [2]. Since then, thousands of similar types of intermetallic compounds have been found, these compounds are still in hot research, and new properties are increasingly being found by researchers.…”

Section: Introductionmentioning

confidence: 99%

A First-Principles Study of a New Heusler Alloy

Chen¹

2017

IJMSA

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Abstract:A full-Heusler alloy Ti 2 NiGa have been investigated by first-principles calculations. The electronic structures and magnetic properties have been obtained. The compound is predicted to be a new half-metal ferrimagnet. The calculations show that there is an energy gap in the minority spin of the band structures, whereas the other spin is strongly metallic, which results in a complete spin polarization of the conduction electrons at the Fermi level. This is the obvious feature of a half-metal. The compound has a total magnetic moment of 3.0µ B per unit cell on first-principles calculations which is in excellent agreement with the Slater-Pauling (SP) rule. The magnetic moments of Ti(A) atom and Ti(B) atoms are different. This difference comes from different atom coordination surroundings of Ti(A) and Ti(B) atoms in crystal structure.

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From nonmagnetic semiconductor to itinerant ferromagnet in the TiNiSn-TiCoSn series

Cited by 77 publications

References 21 publications

Electronic Structure and Magnetic Properties of Intermetallic Alloys

Electronic Structure and Magnetic Properties of Intermetallic Alloys

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

et al. 1999
Phys. Rev. B

A First-Principles Study of a New Heusler Alloy

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From nonmagnetic semiconductor to itinerant ferromagnet in the TiNiSn-TiCoSn series

Cited by 77 publications

References 21 publications

Electronic Structure and Magnetic Properties of Intermetallic Alloys

Electronic Structure and Magnetic Properties of Intermetallic Alloys

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

A First-Principles Study of a New Heusler Alloy

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Product

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

et al. 1999
Phys. Rev. B