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

ABSTRACT

In this paper, we investigate the electronic, mechanical, magneto-optic and thermoelectric properties of a d⁰-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.

KEYWORDS:

• DFT
• KVBi Heuslerene
• electronic
• magneto-optic
• thermoelectric

Disclosure statement

No potential conflict of interest was reported by the author(s).