Prediction of new KVBi monolayer stability and electronic, magneto-optic and thermoelectric properties

In this paper, we investigate the electronic, mechanical, magneto-optic and thermoelectric properties of a d 0 -d half-Heusler monolayer, named KVBi Heuslerene. We prove that this material is stable from static and dynamic views, using both E-V and phonon dispersion curves. We also find out this mat...

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Bibliographic Details
Published in:Philosophical magazine (Abingdon, England) England), 2024-02, Vol.104 (4), p.260-272
Main Authors: Ghafari Eslam, Farzaneh, Karami, Hossein, Boochani, Arash, Yari, Arash, Vahabzadeh, Nosratali, Sartipi, Elmira
Format: Article
Language:English
Subjects:
DFT
electronic
KVBi Heuslerene
magneto-optic
thermoelectric
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Summary:In this paper, we investigate the electronic, mechanical, magneto-optic and thermoelectric properties of a d 0 -d half-Heusler monolayer, named KVBi Heuslerene. We prove that this material is stable from static and dynamic views, using both E-V and phonon dispersion curves. We also find out this material is metal in the spin-up while it is a semiconductor in the spin-down. Moreover, it is indicated that KVBi Heuslerene is a proper candidate for magneto=optic applications. Besides, it is also illustrated that this material possesses interesting features in thermoelectric applications.
ISSN:1478-6435
1478-6443
DOI:10.1080/14786435.2023.2300789