Electronic structure of spin-shape-1/2 Heisenberg antiferromagnetic systems: Ba2Cu(PO4)(2) and Sr2Cu(PO4)(2)

@article{Salunke2007ElectronicSO,
title={Electronic structure of spin-shape-1/2 Heisenberg antiferromagnetic systems: Ba2Cu(PO4)(2) and Sr2Cu(PO4)(2)},
author={S. Salunke and M. A. Ahsan and R. Nath and A. Mahajan and I. Dasgupta},
journal={Physical Review B},
year={2007},
volume={76},
pages={085104}
}

We have employed first principles calculations to study the electronic structure and magnetic properties of the low-dimensional phosphates, ${\mathrm{Ba}}_{2}\mathrm{Cu}{(\mathrm{P}{\mathrm{O}}_{4})}_{2}$ and ${\mathrm{Sr}}_{2}\mathrm{Cu}{(\mathrm{P}{\mathrm{O}}_{4})}_{2}$. Using the self-consistent tight-binding linearized muffin-tin orbital method and the $N\text{th}$ order muffin-tin orbital method, we have calculated the various intrachain as well as the interchain hopping parameters… CONTINUE READING