First-principles investigations of the electronic, magnetic and thermoelectric properties of VTiRhZ (Z= Al, Ga, In) Quaternary Heusler alloys

@article{Alqurashi2021FirstprinciplesIO,
  title={First-principles investigations of the electronic, magnetic and thermoelectric properties of VTiRhZ (Z= Al, Ga, In) Quaternary Heusler alloys},
  author={Hind Alqurashi and Raad Haleoot and Bothina Hamad},
  journal={Materials Chemistry and Physics},
  year={2021}
}
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References

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Thermodynamic and thermoelectric properties of CoFeYGe (Y  =  Ti, Cr) quaternary Heusler alloys: first principle calculations

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TLDR
The calculated mechanical properties and phonon dispersions reveal that the structures of CoFeYGe and CoFeTiGe compounds are stable and combine both good spintronic and thermoelectric behaviors that may be used in spin injection applications.

Ab Initio Investigations of the Structural, Electronic, Magnetic, and Thermoelectric Properties of CoFeCuZ (Z = Al, As, Ga, In, Pb, Sb, Si, Sn) Quaternary Heusler Alloys

The structural, electronic, magnetic, and thermoelectric properties of CoFeCuZ (Z = Al, As, Ga, In, Pb, Sb, Si, Sn) quaternary Heusler alloys were investigated using density functional theory. The

Effect of M elements (M  =  Ti, Zr, and Hf) on thermoelectric performance of the half-Heusler compounds MCoBi

Half-Heusler compounds are a promising kind of candidate for thermoelectric applications, due to the excellent transmission properties of electricity and heat. In this paper, we present a theoretical

Phonon phase stability, structural, mechanical, electronic, and thermoelectric properties of two new semiconducting quaternary Heusler alloys CoCuZrZ (Z = Ge and Sn)

For meeting the energy demand, the development of new and novel thermoelectric (TE) materials for power generation is very vital. In this draft, we have theoretically investigated two new quaternary

Study of the Electronic Structure, Magnetic and Elastic Properties and Half-Metallic Stability on Variation of Lattice Constants for CoFeCrZ (Z = P, As, Sb) Heusler Alloys

Structural, elastic, magnetic and electronic properties of CoFeCrZ (Z = P, As, Sb) Heusler alloys in their YI-type structure have been computed by density functional theory-based WIEN2k code within

First-Principles Investigation of Equiatomic Quaternary Heusler Alloys NbVMnAl and NbFeCrAl and a Discussion of the Generalized Electron-Filling Rule

Plane-wave pseudo-potential methods based on density functional theory are used to study the electronic structures, magnetic, and half-metallic properties of the equiatomic quaternary Heusler alloys
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