Half-metallic antiferromagnets in thiospinels

Abstract

We have theoretically designed the half-metallic (HM) antiferromagnets (AFMs) in thiospinel systems, $\mathrm{Mn}(\mathrm{CrV}){\mathrm{S}}_4$ and $\mathrm{F}{\mathrm{e}}_{0.5}\mathrm{C}{\mathrm{u}}_{0.5}({\mathrm{V}}_{0.5}\mathrm{T}{\mathrm{i}}_{1.5}){\mathrm{S}}_4$, based on the electronic structure studies in the local-spin-density approximation (LSDA). We have also explored electronic and magnetic properties of parent spinel compounds of the above systems; $\mathrm{Cu}{\mathrm{V}}_2{\mathrm{S}}_4$ and $\mathrm{CuT}{\mathrm{i}}_2{\mathrm{S}}_4$ are found to be HM ferromagnets in their cubic spinel structures, while $\mathrm{MnC}{\mathrm{r}}_2{\mathrm{S}}_4$ is a ferrimagnetic insulator. We have discussed the feasibility of material synthesis of HM-AFM thiospinel systems.

4 pages, 5 figures

Cited by in corpus (8)

• Half-metallic ferromagnets: From band structure to many-body effects
• Lattice expansion and non-collinear to collinear ferrimagnetic order in MnCr${}_2$O${}_4$ nanoparticle
• Robust half-metallic antiferromagnets La$A$VOsO${}_6$ and La$A$Mo$Y$O${}_6$ ($A$ = Ca, Sr, Ba; $Y$ = Re, Tc) from first-principles calculations
• Nonzero macroscopic magnetization in half-metallic antiferromagnets at finite temperatures
• First principle investigations of the structural, electronic and magnetic properties of the new zirconium based full-Heusler compounds, Zr2MnZ (Z = Al, Ga and In)
• Realization of La2MnVO6: Search for half-metallic antiferromagnetism?
• Half-metallic Antiferromagnet BaCrFeAs2
• Structural, electronic and magnetic properties of the Manganese telluride layers AMnTe2 (A=K, Rb, Cs) from first-principles calculations