Implications of electron and hole doping on the magnetic properties of spin-orbit entangled Ca$_\text{4}$IrO$_\text{6}$ from DFT calculations

Avishek Singh; Jayita Chakraborty; Nirmal Ganguli

doi:10.1016/j.jmmm.2022.169861

paper

Implications of electron and hole doping on the magnetic properties of spin-orbit entangled Ca $_{4}$ IrO $_{6}$ from DFT calculations

arXiv:2209.00239 · doi:10.1016/j.jmmm.2022.169861

Abstract

We investigate the electronic structure and magnetic properties of a $J_{eff} = 1/2$ iridate Ca $_{4}$ IrO $_{6}$ and the implications of doping electrons and holes using ab initio density functional theory. Our calculations considering spin-orbit interaction reveal that although the Mott-insulating parent compound transforms into a conductor upon doping, antiferromagnetism sustains in the doped system, albeit with a grossly noncollinear arrangement of the spins. We find a strong spin-orbit interaction and magneto-crystalline anisotropy, causing frustration in the system, possibly leading to the highly noncollinear arrangement of spins upon non-magnetic doping. Our results may be important from the viewpoint of spintronics using iridates or other $5 d$ materials.

8 pages, 10 figures

Implications of electron and hole doping on the magnetic properties of spin-orbit entangled Ca4​IrO6​ from DFT calculations

Abstract

References in corpus (6)

Implications of electron and hole doping on the magnetic properties of spin-orbit entangled Ca $_{4}$ IrO $_{6}$ from DFT calculations