The structural, electronic and magnetic properties of Fe3ZnCanti-perovskite

Autor: Hajjami, M., Oubelkacem, A., Benhouria, Y., Kibbou, M., Essaoudi, I., Ainane, A.
Zdroj: Chinese Journal of Physics; October 2024, Vol. 91 Issue: 1 p575-582, 8p
Abstrakt: •Magnetic properties of anti-perovskite Fe3ZnC carbides were studied.•DFT and Monte Carlo simulations were employed.•Fe3ZnC shows ferromagnetic metallic behavior with GGA approximation.•Significant overlap between valence and conduction bands was observed.•MCS results indicate a second-order ferromagnetic transition with high TC.
Databáze: Supplemental Index