Large enhancement of magnetocaloric effect induced by dual regulation effects of hydrostatic pressure in Mn0.94Fe0.06NiGe compound

doi:10.1016/j.jmst.2021.11.019

Abstract

Abstract:

MM′X (M, M′ = transition metals, X = carbon or boron group elements) compounds could exhibit large magnetocaloric effect due to the magnetostructural transition, and the composition regulation has been widely studied to realize the magnetostructural transition. Moreover, the magnetostructural transition is also sensitive to the pressure. Herein, the effect of hydrostatic pressure on magnetostructural transformation and magnetocaloric effect has been investigated in Mn_0.94Fe_0.06NiGe compound. Dual regulation effect of lowering structural transition temperature and strengthening ferromagnetic (FM) state of martensite is realized by applying hydrostatic pressure, which would greatly improve the magnetocaloric effect of Mn_0.94Fe_0.06NiGe compound. Moreover, the first-principles calculations have also been performed to discuss the origin of the regulation effect under hydrostatic pressure, and it indicates that the hydrostatic pressure can stabilize the hexagonal structure and decrease the structural transition temperature. The maximum isothermal entropy change increases by 109% from 4.3 J/(kg K) under 0 GPa to 9.0 J/(kg K) under 0.402 GPa for a magnetic field change of 0-3 T. This work proves that the hydrostatic pressure is an effective method to regulate the magnetostructural transition and enhance magnetocaloric effect in MM′X compounds.

Key words: Magnetocaloric effect, Magnetostructural transition, Hydrostatic pressure, Magnetic properties

He Zhou, Dekun Wang, Zhe Li, Junzhuang Cong, Ziyuan Yu, Shuo Zhao, Peng Jiang, Daoyong Cong, Xinqi Zheng, Kaiming Qiao, Hu Zhang. Large enhancement of magnetocaloric effect induced by dual regulation effects of hydrostatic pressure in Mn_0.94Fe_0.06NiGe compound[J]. J. Mater. Sci. Technol., 2022, 114: 73-80.

Figures/Tables 7

Fig. 1. TiNiSi-type orthorhombic crystal structure of Mn1-xFexNiGe compounds with indicated Ni-6Mn local configurations (light pink zone) and Ni-6Mn/Fe local configurations (light blue zone). The arrows on Mn and Fe atoms illustrate the magnetic moments.

Fig. 2. (a) The contour plot of temperature dependent of the XRD patterns for Mn0.94Fe0.06NiGe compound. (b) The observed and refined powder XRD patterns of Mn0.94Fe0.06NiGe compound at 300 K. The inset shows the unit cell volume as a function of temperature. (c) DSC heat flow curves for Mn0.94Fe0.06NiGe compound. (d) The temperature dependences of ZFC and FC magnetizations under 0.05 T for Mn0.94Fe0.06NiGe compound.

Fig. 3. (a) The temperature dependences of ZFC (solid symbol) and FC (open symbol) magnetizations under 0.05 T for Mn0.94Fe0.06NiGe compound at different applied pressures. The inset shows the Tstr as a function of pressure for Mn0.94Fe0.06NiGe compound. (b) The temperature dependences of FC magnetizations under 3 T for Mn0.94Fe0.06NiGe compound at various applied pressures. The inset shows the dM/dT as a function of temperature.

Fig. 4. Magnetization isotherms with magnetizing and demagnetizing processes for Mn0.94Fe0.06NiGe compound under (a) 0 GPa and (b) 0.402 GPa. (c) The magnetization isotherms of Mn0.94Fe0.06NiGe compound under different applied pressures at 260 K. The inset shows the μ0Hcr as a function of pressure for Mn0.94Fe0.06NiGe compound.

Fig. 5. The crystal structures of (a) hexagonal supercell and (b) orthorhombic supercell for Mn0.9375Fe0.0625NiGe. (c) The total and partial DOS of orthorhombic structure. (d) The Ecoh as a function of V/V0 for hexagonal and orthorhombic structures.

Table 1. Calculated lattice parameters, cell volume (V) and total energy (Etot) of the optimized structural models for the hexagonal and orthorhombic structures of Mn0.9375Fe0.0625NiGe.

Structure	Model	Lattice parameters (Å)			V (Å³)	E_tot (eV/atom)
Structure	Model	a	b	c	V (Å³)	E_tot (eV/atom)
Hexagonal	NSP	8.130	8.130	9.984	571.565	-6.350
Hexagonal	SP	8.173	8.173	10.503	607.592	-6.524
Orthorhombic	NSP	11.810	7.296	6.912	595.642	-6.282
Orthorhombic	SP	12.036	7.435	7.045	630.455	-6.526

Fig. 6. Temperature dependences of -ΔS under a field change of 0-3 T for Mn0.94Fe0.06NiGe compound under different applied pressures. The inset shows the magnetic field dependences of maximum -ΔS value for Mn0.94Fe0.06NiGe compound under different applied pressures.

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