We report a study on the electronic and magnetic properties of a novel RbxSr1−xC alloy. We find that the variation of the lattice parameter as function of Rb composition exhibits a deviation from the Vegard's law of about 0.4 {\AA}. The total energy results predict a ferromagnetic ordering for Sr-rich alloy, and antiferromagnetic ordering for RbC-rich alloy with a total magnetic moment ranging from 2 to 3μB per cation. As for the parent compounds, RbC and SrC, the origin of magnetism arises from the polarization of the carbon p-orbitals. From the spin-polarized calculations, we note that the half-metallicity in the RbxSr1−xC alloy is confirmed for x<0.875. On the other hand, a direct band gap is observed in the semiconducting spin part, in contrast to the pure parent compounds.
@article{arxiv.2003.02047,
title = {Magnetism in Rb$_{x}$Sr$_{1-x}$C novel alloy},
author = {D. B. Berrezzoug and A. Lakdja},
journal= {arXiv preprint arXiv:2003.02047},
year = {2020}
}