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Cited by 379

The DOI matches its Crossref record; 31 of the 31 references it cites were found in a registry or an index.

Mn2CoZ(Z=Al,Ga,In,Si,Ge,Sn,Sb)compounds: Structural, electronic, and magnetic properties

Liu, G. D., Dai, X. F., Liu, H. Y., Chen, J. L., Li, Y. X., Xiao, Gang, Wu, G. H.·2008·Physical Review B
DOI 10.1103/physrevb.77.014424
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Abstract

We study the electronic structures and magnetic properties of ${\mathrm{Mn}}_{2}\mathrm{Co}Z$ $(Z=\mathrm{Al},\mathrm{Ga},\mathrm{In},\mathrm{Si},\mathrm{Ge},\mathrm{Sn},\mathrm{Sb})$ compounds with ${\mathrm{Hg}}_{2}\mathrm{Cu}\mathrm{Ti}$-type structure using first-principles full-potential linearized-augmented plane-wave calculations. It is found that the compounds with $Z=\mathrm{Al}$, Si, Ge, Sn, and Sb are half-metallic ferrimagnet. Experimentally, we successfully synthesized the ${\mathrm{Mn}}_{2}\mathrm{Co}Z$ $(Z=\mathrm{Al},\mathrm{Ga},\mathrm{In},\mathrm{Ge},\mathrm{Sn},\mathrm{Sb})$ compounds. Using the x-ray diffraction method and Rietveld refinement, we confirm that these compounds form ${\mathrm{Hg}}_{2}\mathrm{Cu}\mathrm{Ti}$-type structure instead of the conventional $L{2}_{1}$ structure. Based on the analysis on the electronic structures, we find that there are two mechanisms to induce the minority-spin band gap near the Fermi level, but only the $d\text{\ensuremath{-}}d$ band gap determines the final width of the band gap. The magnetic interaction is quite complex in these alloys. It is the hybridization between the $\mathrm{Mn}(C)$ and Co atom that dominates the magnitude of magnetic moment of the Co atom and the sign of the $\mathrm{Mn}(B)\text{\ensuremath{-}}\mathrm{Co}$ exchange interaction. The ${\mathrm{Mn}}_{2}\mathrm{Co}Z$ alloys follow the Slater-Pauling rule ${M}_{H}={N}_{V}\ensuremath{-}24$ with varying $Z$ atom. It was further elucidated that the molecular magnetic moment ${M}_{H}$ increases with increasing valence concentration only by decreasing the antiparallel magnetic moment of $\mathrm{Mn}(C)$, while the magnetic moments of $\mathrm{Mn}(B)$ and Co are unaffected.

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Metadata

Authors
Liu, G. D., Dai, X. F., Liu, H. Y., Chen, J. L., Li, Y. X., Xiao, G., & Wu, G. H.
Venue
Physical Review B
Publisher
American Physical Society (APS)
Published
2008-01-17
Volume
77
Issue
1
ISSN
  • 1098-0121 (ISSN-L)
  • 1550-235X
DOI
10.1103/physrevb.77.014424
OpenAlex
W2096086151
Cited by
379
References
31
FWCI
4.69
Type
journal article
Language
en
Open access
closed

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