  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.
