First-Principles Study of Structural, Electronic, Magnetic and Elastic Properties of the Mn2XSb (X = Co, Fe) Inverse Heusler Alloys

Aravindan, V.; Rajarajan, A. K.; Mahendran, M.

doi:10.1007/s11664-020-08688-5

Cited by 20 publications

(6 citation statements)

References 19 publications

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“…We performed first-principles calculations utilizing the Full Potential and Linearized Augmented Plane Wave (FP -LAPW) approach as instated in the WIEN2k simulation package (25,26). We have employed the Generalized Gradient Approximation in the framework of Perdew -Burke -Ernzerhof (GGA-PBE) as the exchange-correlation functional (27,28). We utilized a value RMT×Kmax = 8 in the present work to calculate energy convergence, where RMT is the muffin-tin radii, and Kmax is the plane wave cut-off.…”

Section: Methods Of Calculationsmentioning

confidence: 99%

Transport Properties of Novel LaCoTiIn Equiatomic Quaternary Heusler Alloy for Thermoelectric Energy Conversion

Aravindan¹,

Rajarajan

Vijayanarayanan³

et al. 2022

ECS Trans.

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The emergence of new thermoelectric materials for energy generation is crucial to satisfying the world's energy demand. The electron charge density and thermoelectric transport properties of the LaCoTiIn quaternary Heusler alloy were investigated in this study. We used the Generalized Gradient Approximation (GGA – PBE) exchange correlation potential to illustrate the physical properties of a material. The electronic structure of the alloy shows half-metallic ferromagnetic behavior. The minority spin channel's small band gap enhances its thermoelectric characteristics. The high electrical conductivity, small thermal conductivity, and good figure of merit all indicate that this material could be a suitable material to employ in thermoelectric energy conversion.

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Section: Methods Of Calculationsmentioning

confidence: 99%

Transport Properties of Novel LaCoTiIn Equiatomic Quaternary Heusler Alloy for Thermoelectric Energy Conversion

Aravindan¹,

Rajarajan

Vijayanarayanan³

et al. 2022

ECS Trans.

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“…The formation energy of studied compounds have been calculated by the relation [52]. Furthermore, we have computed the Curie temperature by the Classical Heisenberg model whose mathematical form is Tc=ΔE/3K B , where ΔE is the energy difference between paramagnetic and ferromagnetic states, K B is Boltzmann constant [53]. The computed values are 315 K, and 305 K which show the room temperature ferromagnetism.…”

Section: Structural Analysismentioning

confidence: 99%

First principle study of half metallic ferromagnetism and transport properties of spinel’s ZnFe₂(S/Se)₄ for spintronic

AlObaid¹,

Al-Muhimeed²,

Rahim³

et al. 2021

Phys. Scr.

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Half metallic ferromagnetism received remarkable attention due to its immense technological applications in spintronic. In this perspective, thiospinels ZnFe2S/Se4 is addressed by employing density functional theory (DFT) for spintronics and thermoelectric devices. The optimized energy versus volume leads to the confirmation of the Ferromagnetic (FM) states stability of both spinels. The formation energy confirms the thermodynamic stability. TDOS and PDOS are determined to confirm spin polarization and half-metallic ferromagnetism. Ferromagnetism is explored by exchange energies and magnetic moments. In addition, thermoelectric characteristics are explored by electrical and thermal conductivities, Seebeck coefficient, and power factor to evaluate their potential in thermoelectric applications.

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“…Shape memory alloys (SMAs) are alloys that can restore the original shape under influence of temperature or an external magnetic field. The origin of the shape memory effect (SME) is due to the transformation of the crystal structure of the material when temperature or magnetic field acts on it [1][2][3][4][5][6][7][8][9][10][11]. The SMAs can exist in two different crystalline phases including the martensitic phase (stable at low temperature) and austenitic phase (stable at higher temperatures) [1][2][3][4][5][6][7][8][9].…”

Section: Introductionmentioning

confidence: 99%

“…The origin of the shape memory effect (SME) is due to the transformation of the crystal structure of the material when temperature or magnetic field acts on it [1][2][3][4][5][6][7][8][9][10][11]. The SMAs can exist in two different crystalline phases including the martensitic phase (stable at low temperature) and austenitic phase (stable at higher temperatures) [1][2][3][4][5][6][7][8][9]. The SMAs are capable of many applications in the fields of biomedicine, aerospace, microelectronics, automation: orthodontics, stents, bone anchors, automatic valves, heat sensors, nanotweezers, robots, etc.…”

Section: Introductionmentioning

confidence: 99%

“…Nowadays, one of the SMAs that increasingly attract interest in research is Ni-Mn-Ga Heusler alloy because of their application in the field of actuators and sensors [1][2][3][4][5][6][7][8]. These alloys have giant magnetic-field-induced strains which allow their use as magnetic actuators, and fast response by application of a magnetic field [12][13][14][15][16][17][18][19][20].…”

Section: Introductionmentioning

confidence: 99%

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Structure and magnetic properties of Ni–Mn–Ga shape memory alloys

Nguyen¹,

Kieu²,

Nguyen³

et al. 2022

Adv. Nat. Sci: Nanosci. Nanotechnol.

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In this paper, we present structure, structural phase transformation, magnetic phase transition, and magnetocaloric effect of Ni50Mn50-x Ga x (x = 17, 18, 19, 20, and 21) shape memory alloys. X-ray diffraction patterns display nano-crystalline phases in the alloys. The samples are soft magnetic material with very narrow magnetic hysteresis. The martensitic-austenite transformation temperature increases from 219 K (for x = 17) to 322 K (for x = 21) with increasing Ga-concentration. Ga also increases the Curie phase transition temperature and the saturation magnetisation of the alloy. The external magnetic field also clearly affects the structural phase transition of the alloy. The magnitude of the martensitic-austenitic phase transition decreases with the increase of the applied magnetic field. Both the normal and invert magnetocaloric effects coexist in the alloy. Under the magnetic field change of 10 kOe, the maximum magnetic entropy change, ∣ΔS m ∣max, for the Ni50Mn30Ga20 ribbon is 0.95 J.kg−1.K−1 for the normal magnetocaloric effect.

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First-Principles Study of Structural, Electronic, Magnetic and Elastic Properties of the Mn2XSb (X = Co, Fe) Inverse Heusler Alloys

Cited by 20 publications

References 19 publications

Transport Properties of Novel LaCoTiIn Equiatomic Quaternary Heusler Alloy for Thermoelectric Energy Conversion

Transport Properties of Novel LaCoTiIn Equiatomic Quaternary Heusler Alloy for Thermoelectric Energy Conversion

First principle study of half metallic ferromagnetism and transport properties of spinel’s ZnFe₂(S/Se)₄ for spintronic

Structure and magnetic properties of Ni–Mn–Ga shape memory alloys

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First-Principles Study of Structural, Electronic, Magnetic and Elastic Properties of the Mn2XSb (X = Co, Fe) Inverse Heusler Alloys

Cited by 20 publications

References 19 publications

Transport Properties of Novel LaCoTiIn Equiatomic Quaternary Heusler Alloy for Thermoelectric Energy Conversion

Transport Properties of Novel LaCoTiIn Equiatomic Quaternary Heusler Alloy for Thermoelectric Energy Conversion

First principle study of half metallic ferromagnetism and transport properties of spinel’s ZnFe2(S/Se)4 for spintronic

Structure and magnetic properties of Ni–Mn–Ga shape memory alloys

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First principle study of half metallic ferromagnetism and transport properties of spinel’s ZnFe₂(S/Se)₄ for spintronic