Systematic study of electronic and magnetic properties for Cu 12-xTMxSb4S13 (TM = Mn, Fe, Co, Ni, and Zn) tetrahedrite

Koichiro Suekuni, Y. Tomizawa, T. Ozaki, M. Koyano

Research output: Contribution to journalArticle

47 Citations (Scopus)

Abstract

Substitution effects of 3d transition metal (TM) impurities on electronic and magnetic properties for Cu12Sb4S13 tetrahedrite are investigated by the combination of low-temperature experiments and first-principles electronic-structure calculations. The electrical resistivity for the cubic phase of Cu12Sb4S13 exhibits metallic behavior due to an electron-deficient character of the compound. Whereas that for 0.5 ≤ x ≤ 2.0 of Cu12- xNixSb4S13 exhibits semiconducting behavior. The substituted Ni for Cu is in the divalent ionic state with a spin magnetic moment and creates impurity bands just above the Fermi level at the top of the valence band. Therefore, the semiconducting behavior of the electrical resistivity is attributed to the thermal excitation of electrons from the valence band to the impurity band. The substitution effect of TM on the electronic structure and the valency of TM for Cu11.0TM 1.0Sb4S13 are systematically studied by the calculation. The substituted Mn, Fe, and Co for Cu are found to be in the ionic states with the spin magnetic moments due to the large exchange splitting of the 3d bands between the minority- and majority-spin states.

Original languageEnglish
Article number143702-1
JournalJournal of Applied Physics
Volume115
Issue number14
DOIs
Publication statusPublished - Apr 14 2014
Externally publishedYes

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transition metals
magnetic properties
electronics
impurities
magnetic moments
substitutes
electronic structure
valence
electrical resistivity
minorities
electrons
excitation

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

Cite this

Systematic study of electronic and magnetic properties for Cu 12-xTMxSb4S13 (TM = Mn, Fe, Co, Ni, and Zn) tetrahedrite. / Suekuni, Koichiro; Tomizawa, Y.; Ozaki, T.; Koyano, M.

In: Journal of Applied Physics, Vol. 115, No. 14, 143702-1, 14.04.2014.

Research output: Contribution to journalArticle

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