Probing of mechanical behaviour, quantum mechanism of spin exchange and magnetism of SnV₂O₄ and SnCr₂O₄ spinel oxides by DFT

ABSTRACT

The spinel oxides SnV₂O₄ and SnCr₂O₄ are analysed to reveal the mechanical, electronic and magnetic properties using Wien2k software. The negative formation energy and positive elastic constants shows the studied materials are thermodynamically and mechanically favorable. In ferromagnetic (FM) state more energy release than antiferromagnetic (AFM) state. The above room temperature magnetism is elaborated by spin polarisation, exchange mechanism, direct Δ_x(d) and indirect Δ_x(pd) exchange energy and crystal field energy Δ_x(CF). The shifting of magnetic moment form V/Cr sites to Sn/V sites illustrate the ferromagnetism is caused by pd hybridisation that affects the net orientation of electrons spin and hence, it increases the importance of the materials for spin-dependent electronic applications.

KEYWORDS:

• Exchange mechanism
• hybridisation
• thermodynamic stability
• exchange constants
• magnetic moment

Acknowledgement

The authors (S. M. Ramay and Asif Mahmood) extend their appreciation to the Deanship of Scientific Research at King Saud University for funding the work through the research group project No. RG 1435-004.

Disclosure statement

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