Investigation of the electronic structure, mechanical, and thermoelectric properties of novel semiconductor compounds: XYTe (X = Ti/Sc; Y = Fe/Co)

Ahmad, Aquil; Chia-Jyi, Liu

doi:10.1039/d3cp01478a

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2024

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Cited by 3 publications

References 55 publications

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Mechanical and thermoelectric response of 18-valence electron half-Heusler tellurides XFeTe (X=Ti, Hf): A theoretical perspective

Khatri,

Adhikari

2024

Materials Today Communications

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Mechanical and thermoelectric response of 18-valence electron half-Heusler tellurides XFeTe (X=Ti, Hf): A theoretical perspective

Khatri,

Adhikari

2024

Materials Today Communications

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Discovery of new potential magnetic semiconductors in quaternary Heusler compounds by addition of lanthanides

Guo 郭,

Feng 冯,

Tao 陶

et al. 2023

Chinese Phys. B

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Magnetic semiconductors have attracted a lot of attention by having both electronic charge and spin degrees of freedom. In this paper, we obtained twenty magnetic semiconductors such as FeVLaSb, FeVPrSb, FeCrTbSi, CoVDySi, and CoVHoSi by adding lanthanides to quaternary Heusler compounds based on the Slater-Pauling law and orbital hybridization theory. The relationship between the lattice constants and energy gaps of the magnetic semiconductors with lanthanide elements is investigated by in-depth analysis. These magnetic semiconductors of quaternary Heusler compounds promising candidates to find applications as spin filtering materials in spintronics devices.

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Magnetic Semiconductors Obtained by Replacing One of the Atoms of a Quaternary Heusler Alloy with a Lanthanide Element

Liu,

Guo,

Tao

et al. 2024

Preprint

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Investigation of the electronic structure, mechanical, and thermoelectric properties of novel semiconductor compounds: XYTe (X = Ti/Sc; Y = Fe/Co)

Abstract: We report the structural, mechanical, electronic, phonon, and thermoelectric properties of new XYTe (X= Ti/Sc; Y = Fe/Co) half-Heusler compounds by employing the first principles based DFT computation and Boltzmann...

Cited by 3 publications

References 55 publications

Mechanical and thermoelectric response of 18-valence electron half-Heusler tellurides XFeTe (X=Ti, Hf): A theoretical perspective

Mechanical and thermoelectric response of 18-valence electron half-Heusler tellurides XFeTe (X=Ti, Hf): A theoretical perspective

Discovery of new potential magnetic semiconductors in quaternary Heusler compounds by addition of lanthanides

Magnetic Semiconductors Obtained by Replacing One of the Atoms of a Quaternary Heusler Alloy with a Lanthanide Element

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