Biplab Sanyal: Evolution of electronic and magnetic structures in spinel C0Cr2O4 with Fe doping
|When:||Mo 30-11-2015 14:00 - 15:00|
In this talk, I will present a systematic study of the effects of Fe doping on the electronic and magnetic structures of spinel CoCr2O4 by ab initio density functional theory and atomistic spin dynamics calculations. The calculated magnetic structure with a q-vector of (0.67, 0.67,0.0) is in excellent agreement with experimental findings for pristine CoCr2O4. I will show that the non-collinear spin structure with a non-zero q-vector in the spinel structure is driven towards collinearity with Fe doping by a complex interplay between interatomic exchange interactions. In the inverse spinel structure with 100 % Fe doping, a collinear antiferromagnetic order develops along with a half metallic electronic structure, which evolves due to the chemical disorder between Fe and Co in the B sites .