Condensed Matter Physics, 2020, vol. 23, No. 1, 13602
DOI:10.5488/CMP.23.13602           arXiv:2003.02047

Title: Magnetism in RbxSr1-xC novel alloy
Author(s):
  D.B. Berrezzoug (Laboratoire de microscopie, microanalyse de la matière et spectroscopie moléculaire, Université Djillali Liabès de Sidi-Bel-Abbès 22000, Algeria) ,
  A. Lakdja (Laboratoire de microscopie, microanalyse de la matière et spectroscopie moléculaire, Université Djillali Liabès de Sidi-Bel-Abbès 22000, Algeria)

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 Å. 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.

Key words: first-principles theory, magnetic semiconductors, alloys, alkali and alkaline earth metals


Full text [pdf] << List of papers