Journal of New Technology and Materials
Volume 11, Numéro 2, Pages 10-16
2021-12-20
Effect Of Incorporation Of Chromium On Electronic, Optical And Magnetic Properties Of Ktao3
Authors : Kaddour Bettir . Amaria Bekhti Siad . Melouka Baira . Chahrazed Zouaneb . Rabah Khenata .
Abstract
In this study, the structural, electronic, optical and magnetic properties of undoped and Cr3+ doped KTaO3 compounds are investigated using the full potential linearized augmented plane wave method. The exchange-correlation potential is treated with the generalized gradient approximation (GGA) and modified Becke-Johnson potential (TB-mBJ) to improve the electronic structure calculations. These two compound are found to be semiconductors with indirect band gaps. The optical transitions are investigated via dielectric function along with other related optical constants such as refractive index and absorption coefficient. KTaO3 compound display nonmagnetic behavior, whereas KTaO3 doped Chromium show a ferromagnetic ground state. The magnetic properties in this theoretical study is also helpful for designing transition metal such as Chromium doped perovskite materials like KTaO3 compound for spin electonics performance.
Keywords
Perovskite materials ; Semiconductor ; optical properties ; magnetic properties ; TB-mBJ
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