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):
 
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D.B. Berrezzoug
(Laboratoire de microscopie, microanalyse de la matière et spectroscopie moléculaire, Université Djillali Liabès de Sidi-Bel-Abbès 22000, Algeria)
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A. Lakdja
(Laboratoire de microscopie, microanalyse de la matière et spectroscopie moléculaire, Université Djillali Liabès de Sidi-Bel-Abbès 22000, Algeria)
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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
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