Structure and magnetism in epitaxial 
<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mrow><mml:mi>Fe</mml:mi></mml:mrow><mml:mrow><mml:mn>1</mml:mn><mml:mo>+</mml:mo><mml:mi>x</mml:mi></mml:mrow></mml:msub><mml:mi>VSb</mml:mi></mml:math>
 nanocomposite films

Shourov, Estiaque H.; Zhang, Chenyu; Voyles, Paul M.; Kawasaki, Jason K.

doi:10.1103/physrevmaterials.5.124605

Cited by 2 publications

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References 22 publications

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“…In the search for novel high-performance thermoelectric materials, half-and full-Heusler compounds [1][2][3][4][5][6][7][8][9][10][11][12] have been extensively investigated. Many studies have been conducted on the full-Heusler compound Fe 2 VAl and related compounds.…”

Section: Introductionmentioning

confidence: 99%

First-principles study of Fe₂VAl and Fe₂VAl/Si thin films and their magnetic properties

Kobayashi¹,

Takaki²,

Shimono³

et al. 2022

Jpn. J. Appl. Phys.

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We studied thin films of Fe2VAl, Fe2VAl/Si, and a related compound using the total energy pseudopotential method. The internal atoms in a supercell of the repeated slab model were fully relaxed, except for Fe2VAl/Si. The detailed electronic and magnetic properties of structurally relaxed thin films of Fe2VAl, Fe2VAl/Si, and a related compound were calculated. These films are free-standing in the supercell, except for Fe2VAl/Si, which comprises Fe2VAl and Si (substrate) layers in a supercell. A thin film comprising Fe2V, Al, and Si (substrate) layers in the supercell (denoted as Fe2V/Al/Si) was also studied. Although electronic states of bulk Fe2VAl (full-Heusler) are metallic with pseudo-gap states around the Fermi level and nonmagnetic, the calculation results for Fe2VAl, Fe2VAl/Si, and Fe2V/Al/Si thin films in this study indicate that the films have ferromagnetic properties and their ferromagnetic states are energetically more favorable than nonmagnetic states. The magnetic moments are large and enhanced in the thin films. The magnetic moments of Fe in Fe2VAl (Fe12V4Al4), Fe2VAl (Fe20V8Al8), Fe2VAl/Si, and Fe2V/Al/Si thin films are 2.07 μB/per atom, 1.29 μB/per atom, 1.83 μB/per atom, and 2.22 μB/per atom, respectively.

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Section: Introductionmentioning

confidence: 99%

First-principles study of Fe₂VAl and Fe₂VAl/Si thin films and their magnetic properties

Kobayashi¹,

Takaki²,

Shimono³

et al. 2022

Jpn. J. Appl. Phys.

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Electronic, optical and huge figure of merit of MnFeTe Heuslerene

Azin-Sanjabod,

Nedaee-Shakarab,

Azizian-Kalandaragh

et al. 2023

Int. J. Mod. Phys. B

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Based on the density functional theory (DFT) calculations, the structural, electronic, optical and thermoelectric properties of the MnFeTe Heuslerene compound have been investigated. The total energy change curve in terms of volume refers to the ground state point and equilibrium volume. By applying mBJ approximation, this compound has perfect half-metallic behavior of 100% spin polarization at the Fermi level with 7[Formula: see text] magnetic moment. Optical calculations show that the semiconductor behavior with an optical absorption gap occurred by incident light perpendicular to the MnFeTe Heuslerene plane. The figure of merit coefficient (ZT) has reached 3.5 at 50[Formula: see text]K temperature, which makes it an excellent candidate for thermoelectric applications. Also, the power factor (PF) of this compound has reached its maximum value at room temperature.

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Structure and magnetism in epitaxial Fe1+xVSb nanocomposite films

Cited by 2 publications

References 22 publications

First-principles study of Fe₂VAl and Fe₂VAl/Si thin films and their magnetic properties

First-principles study of Fe₂VAl and Fe₂VAl/Si thin films and their magnetic properties

Electronic, optical and huge figure of merit of MnFeTe Heuslerene

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Structure and magnetism in epitaxial Fe1+xVSb nanocomposite films

Cited by 2 publications

References 22 publications

First-principles study of Fe2VAl and Fe2VAl/Si thin films and their magnetic properties

First-principles study of Fe2VAl and Fe2VAl/Si thin films and their magnetic properties

Electronic, optical and huge figure of merit of MnFeTe Heuslerene

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Product

Resources

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First-principles study of Fe₂VAl and Fe₂VAl/Si thin films and their magnetic properties

First-principles study of Fe₂VAl and Fe₂VAl/Si thin films and their magnetic properties