Leithe-Jasper, A., Schnelle, W., Rosner, H., Cardoso-Gil, R., Baenitz, M., Mydosh, J. A., Grin, Yu., Reissner, M., & Steiner, W. (2008). TlFe₄Sb₁₂: Weak itinerant ferromagnetic analogue to alkali-metal iron-antimony skutterudites. Physical Review B, 77(064412). https://doi.org/10.1103/physrevb.77.064412
E138-05 - Forschungsbereich Solid State Spectroscopy
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Journal:
Physical Review B
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ISSN:
2469-9950
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Date (published):
2008
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Number of Pages:
9
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Publisher:
AMER PHYSICAL SOC
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Peer reviewed:
Yes
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Keywords:
Condensed Matter Physics; Electronic, Optical and Magnetic Materials
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Abstract:
Structural, thermal, electronic, and electrical transport properties as well as high-field 57Fe Mössbauer investigations are reported for thallium iron antimonide TlFe4Sb12, in which thallium attains the formal charge of +1. Similar to the isostructural NaFe4Sb12 and KFe4Sb12 homologues, the Tl-filled skutterudite is an itinerant ferromagnet with small ordered moment below TC=80 K. The electronic structure calculated by density functional methods exhibits a band-ferromagnetic ground state and nearly half-metallic properties. The specific heat is dominated by a low-lying mode due to vibrations of the Tl cation in the cavity of the [Fe4Sb12] polyanionic host. Electrical resistivity displays a characteristic hump and a sharp anomaly at TC. These features and the large magnetoresistance at low temperatures can be explained by a strong compensation of hole and electron carriers in the band structure. Temperature-dependent 57Fe Mössbauer spectroscopy confirms the magnetic character.
