First-principle study origin of ferromagnetism in non-magnetic perovskite BaSnO3 doped with 2p-X (X=C, N)

Authors

  • A. Guendouz University of Oran 1 Ahmed Ben Bella
  • K. Driss-Khodja University of Oran 1 Ahmed Ben Bella
  • B. Amrani University of Oran 1 Ahmed Ben Bella

DOI:

https://doi.org/10.31349/RevMexFis.70.061602

Keywords:

BaSnO3, First principles calculations, Half- Metallic, Magnetic properties

Abstract

In this study, our goal is to analyze the origin of magnetization in non magnetic cubic structure perovskite BaSnO3 doped with 2p-X (X=C, N) using the full potential linearized augmented plane wave (FP-LAPW) method based on density functional theory (DFT).  For the exchange and correlation potential we have applied the generalized gradient approximation (GGA) and the GGA plus-modified Becke-Johnson potential (mBJ-GGA).   The results show that BaSnO3 doped with C then with N and finally with C and N exhibit half-metallic ferromagnetism behavior with the integer magnetic moment of 1, 2 and 3 μB per cell respectively. The origin of the ferromagnetism that occurs within these compounds is mainly caused by the p-p hybridization between 2p-impurities and its neighboring oxygen atoms. These results allowed to conclude that doped perovskite could provide a new type of materials, called half-metallic for future spintronic devices.

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Published

2024-11-01

How to Cite

[1]
atika guendouz, K. Driss-Khodja, and B. Amrani, “ First-principle study origin of ferromagnetism in non-magnetic perovskite BaSnO3 doped with 2p-X (X=C, N)”, Rev. Mex. Fís., vol. 70, no. 6 Nov-Dec, pp. 061602 1–, Nov. 2024.

Issue

Vol. 70 No. 6 Nov-Dec (2024): Revista Mexicana de Física

Section

16 Solid State Physics

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Copyright (c) 2024 A. Guendouz, K. Driss-Khodja, B. Amrani

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