Abstract
We study the ternary compoundsGemMnnTep based on rocksalt semiconducting GeTe using a full-potential density-functional method. Form+n = p, we obtaintwo antiferromagnetic semiconductors in which spins are coupled with a superexchange interaction. Lettingm+n<p, we obtain twometallic ferromagnets, Ge3Mn4Te8 and Ge5Mn2Te8. They have full or nearly full spin polarization at the Fermi level. Our study shows thatthe ferromagnetism is favorable because carriers induced by the Ge vacancies make thesuperexchange give way to a Ruderman–Kittel–Kasuya–Yosida (RKKY) interaction. Our results,consistent with experiments, indicate that high spin polarization can be realized in high qualityGe3Mn4Te8 and Ge5Mn2Te8 samples.
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