arXiv Open Access 2022

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

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Abstrak

We investigate the electronic structure and magnetic properties of a $J_\text{eff} = 1/2$ 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 $5d$ materials.

Topik & Kata Kunci

cond-mat.str-el cond-mat.mtrl-sci

Penulis (3)

Avishek Singh

Jayita Chakraborty

Nirmal Ganguli

Format Sitasi

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Singh, A., Chakraborty, J., Ganguli, N. (2022). Implications of electron and hole doping on the magnetic properties of spin-orbit entangled Ca$_\text{4}$IrO$_\text{6}$ from DFT calculations. https://arxiv.org/abs/2209.00239

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Informasi Jurnal

Tahun Terbit: 2022
Bahasa: en
Sumber Database: arXiv
Akses: Open Access ✓