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 inPhilosophical magazine (Abingdon, England) Vol. 104; no. 4; pp. 260 - 272
Main Authors Ghafari Eslam, Farzaneh, Karami, Hossein, Boochani, Arash, Yari, Arash, Vahabzadeh, Nosratali, Sartipi, Elmira
Format Journal Article
LanguageEnglish
Published Taylor & Francis 16.02.2024
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