# Electronic and magnetic properties of low dimensional system Co2TeO3Cl2

## TL;DR

This study uses first-principles calculations to explore the electronic and magnetic properties of Co2TeO3Cl2, revealing antiferromagnetic interactions and the significance of spin-orbit coupling in its low-dimensional structure.

## Contribution

It provides a detailed analysis of the exchange interactions and spin lattice of Co2TeO3Cl2 using density functional theory and Wannier functions, highlighting the role of spin-orbit coupling.

## Key findings

- Nearest and next-nearest neighbor interactions are antiferromagnetic.
- Inter-chain and intra-chain interactions dominate in the ab plane.
- Spin quantization axis favors the b crystallographic direction.

## Abstract

The electronic and magnetic properties of transition metal oxyhalide compound Co2TeO3Cl2 is investigated using first principle calculations within the framework of density functional theory. In order to find underlying spin lattice of this compound, various hopping integrals and exchange interactions are calculated. The calculations reveal that the dominant inter-chain and intra-chain interactions are in ab plane. The exchange path is visualised by Wannier function plotting. The nearest neighbour and next nearest neighbour exchange interactions are antiferromagnetic, making the system frustrated in low dimension. The importance of spin orbit coupling in this compound is also investigated. The spin quantization axis is favoured along the crystallographic b direction.