Abstract
The electronic and magnetic properties of transition metal oxyhalide compound Co2TeO3Cl2 are investigated using first principle calculations within the framework of density functional theory. To find the 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 the ab plane. The exchange path is visualized by Wannier function plotting. The nearest neighbor and next nearest neighbor exchange interactions are antiferromagnetic, making the system frustrated in low dimension. Calculations are also done with spin–orbit coupling (SOC) to find out the effect of SOC on this compound. Calculation of magnetocrystalline anisotropy suggests that the easy axis is along the crystallographic b direction.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
