Structural, magnetic, transport, and half-metallic properties of Fe2Co1-xCrxSi Heusler alloys

Du, Ye; Wang, WH; Xm, Zhang; Liu, Enke; Wu, Gai

doi:10.7498/aps.61.147304

Acta Phys. Sin.

2012

DOI: 10.7498/aps.61.147304

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Structural, magnetic, transport, and half-metallic properties of Fe2Co1-xCrxSi Heusler alloys

Ye Du¹,

WH Wang²,

Zhang Xm³

et al.

Abstract: The structural, the magnetic, the transport and the half-metallic properties of quaternary Heusler alloy Fe2Co1-xCrxSi are investigated. The studies of X-ray diffraction and temperature dependence of magnetization reveal that Fe2Co1-xCrxSi alloy always maintains a high degree of order, while the Curie temperature decreases gradually with the increase of Cr concentration x. Importantly, the lattice constant and the saturation magnetic moment of Fe2Co1-xCrxSi alloy follow the Vegard law and half-metallic Slater-… Show more

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“…Figure 2(b) shows the temperature dependence of the zerofield resistivity. As expected, the resistivity decreases with decreasing temperature in the temperature range between 300 K and 5 K. Here, we should point out that in many Heusler alloys [17,18], especially the ones containing Mn atoms, the resistivity shows a local minimum at low temperatures with the resistivity increasing slightly toward lower temperature. However, this type of lowtemperature anomaly is not observed in the present highly ordered Fe 2 CoSi.…”

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confidence: 76%

Crossover of magnetoresistance in the zero-gap half-metallic Heusler alloy Fe ₂ CoSi

Du¹,

Xu²,

Zhang³

et al. 2013

EPL

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supporting

confidence: 76%

Crossover of magnetoresistance in the zero-gap half-metallic Heusler alloy Fe ₂ CoSi

Du¹,

Xu²,

Zhang³

et al. 2013

EPL

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First-principles study of magnetic disordering and alloying effects on phase stability and elastic constants of Co2CrZ (Z = Ga, Si, Ge) alloys

杨顺杰¹,

李春梅²,

周金萍³

2022

Acta Phys. Sin.

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The effects of magnetic disorder (y) and alloying effects on the phase stability of Co2CrZ (Z=Ga,Si,Ge) magnetic shape memory alloys at 0 K have been systematically investigated using the exact Muffin-Tin orbit combined with the coherent potential approximation method. The results show that the total magnetic moments of the three alloys in the ferromagnetic state are mainly contributed by Cr and Co atoms, while only Cr atoms have magnetic moments in the paramagnetic state. With the increase of y, the energy increase rate of the L21 phase of the alloy becomes faster, while the energy increase rate of the D022 phase is relatively slow, i.e., the D022 phase of the alloy becomes more stable compared with the L21 phase. At the same time, the tetragonal shear elastic constant C′ of the L21 phase softened, indicating that the increase of y is favorable to the martensitic transformation from L21 to D022. The martensitic phase transformation of the alloy Z=Ga started when y≥0.2, and the martensitic phase transformation of the alloy Z=Si and Ge could occur when y≥0.1. The physical mechanism of the martensitic phase transformation in this system is explained from a microscopic point of view based on the John-Teller instability. The variation pattern of the total magnetic moments of the two quaternary alloys of Co2CrGa1-xSix and Co2CrGa1-xGex in the ferromagnetic state conforms to the S-P rule, indicating that the doping of Si(Ge) does not change the magnetic structure of the alloy. In addition, the elastic constants of the two alloys show that the increase of x is beneficial to enhance the mechanical stability of the L21 phase of the alloys, which helps to suppress the occurrence of cubic to tetragonal deformation.

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First-principles study of Co and Ni excess effects on crystal structure and phase stability of Co2NiGa alloy

Zhou,

Li,

Jiang

et al. 2023

Acta Phys. Sin.

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Using the first-principles exact muffin-tin orbital method in combination with the coherent potential approximation, the crystal structure and site occupation, martensitic transformation, magnetic moments and elastic constants of Co2+xNi1-xGa, Co2+xNiGa1-x, Co2-xNi1+xGa and Co2Ni1+xGa1-x(0 ≤ x ≤ 0.4) alloys with Co and Ni excess at 0 K are systematically investigated. It is shown that most of the austenitic phases of the alloys have XA stable structure, and the excess Co and Ni atoms are occupied in the insufficient atomic positions, and it is inversely occupied only when Ni replaces Ga. With increasing x, the total electron energy of L10 relative to XA of only two Ga-insufficient alloys is gradually decreased, the former tetragonal shear elastic constant is gradually increased, while the latter it is gradually decreased. It is indicated that the martensitic transformation is promoted by both Co and Ni replacements of Ga in the energy and mechanics, and it is expected to increase the martensitic transformation temperature. The total magnetic moments (μtot) of the XA and L10 phases of each alloy are mainly contributed by Co atoms, and Ni atoms are only contributed relatively small part. And the μtot of each two phases in the four alloys are in the same relationship with x, the difference between them is not more than about 0.32 μB in the same content. The analysis of electronic structure calculations is shown that the spin-down electronic density of states distribution of Co and Ni atoms near the Fermi energy level has contributed significantly to the stability of L10 relative to the XA phase, which is attributed to the Jahn-Teller effect. The above results are expected to provide a theoretical reference for the optimal design of the structure and properties of Co2NiGa-based ternary alloys on experiments.

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Structural, magnetic, transport, and half-metallic properties of Fe2Co1-xCrxSi Heusler alloys

Cited by 3 publications

References 21 publications

Crossover of magnetoresistance in the zero-gap half-metallic Heusler alloy Fe ₂ CoSi

Crossover of magnetoresistance in the zero-gap half-metallic Heusler alloy Fe ₂ CoSi

First-principles study of magnetic disordering and alloying effects on phase stability and elastic constants of Co<sub>2</sub>Cr<i>Z</i> (<i>Z</i> = Ga, Si, Ge) alloys

First-principles study of Co and Ni excess effects on crystal structure and phase stability of Co<sub>2</sub>NiGa alloy

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Structural, magnetic, transport, and half-metallic properties of Fe2Co1-xCrxSi Heusler alloys

Cited by 3 publications

References 21 publications

Crossover of magnetoresistance in the zero-gap half-metallic Heusler alloy Fe 2 CoSi

Crossover of magnetoresistance in the zero-gap half-metallic Heusler alloy Fe 2 CoSi

First-principles study of magnetic disordering and alloying effects on phase stability and elastic constants of Co<sub>2</sub>Cr<i>Z</i> (<i>Z</i> = Ga, Si, Ge) alloys

First-principles study of Co and Ni excess effects on crystal structure and phase stability of Co<sub>2</sub>NiGa alloy

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Crossover of magnetoresistance in the zero-gap half-metallic Heusler alloy Fe ₂ CoSi

Crossover of magnetoresistance in the zero-gap half-metallic Heusler alloy Fe ₂ CoSi