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Electronic and magnetic behaviors of (V, Mn), (V, Fe) and (V, Cu) codoped tin carbide : Ab initio and Monte Carlo calculations

Authors :
Behloul, M.
Benhouria, Y.
Ez-Zahraouy, H.
Essaoudi, I.
Ainane, Abdelmajid
Ahuja, Rajeev
Behloul, M.
Benhouria, Y.
Ez-Zahraouy, H.
Essaoudi, I.
Ainane, Abdelmajid
Ahuja, Rajeev
Publication Year :
2022

Abstract

In the present study, we performed ab initio calculations for tin carbide codoped with (V,Mn), (V,Cu) and (V,Fe). The electronic and magnetic properties of tin carbide are calculated by means of density functional theory (DFT). The half metallic ferromagnetic behaviour of dual impurities VMnSnC, VFeSnC and VCuSnC is treated by using the Korringa-Kohn-Rostoker coherent potential approximation (KKR-CPA). Our results evince that, the stability of ferromagnetism state was induced by the charge state of magnetic impurities, which room temperature ferromagnetic DMS based spintonic is realized. The exchange interactions are obtained from first principles calculations using an Ising model. Our calculation is supported by Monte Carlo simulation based on the heat bath algorithm. We have examined the effects of magnetic parameters for magnetization, internal energy and magnetic susceptibility.

Details

Database :
OAIster
Notes :
English
Publication Type :
Electronic Resource
Accession number :
edsoai.on1349081856
Document Type :
Electronic Resource
Full Text :
https://doi.org/10.1016.j.matpr.2022.01.419