Weihrich, Richard ; Anusca, Irina
Alternative Links zum Volltext:DOI
Dokumentenart: | Artikel |
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Titel eines Journals oder einer Zeitschrift: | Zeitschrift für anorganische und allgemeine Chemie |
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Verlag: | John Wiley & Sons |
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Band: | 632 |
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Nummer des Zeitschriftenheftes oder des Kapitels: | 8-9 |
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Seitenbereich: | S. 1531-1537 |
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Datum: | 2006 |
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Institutionen: | Chemie und Pharmazie > Institut für Anorganische Chemie > Arbeitskreis Dr. Richard Weihrich |
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Identifikationsnummer: | Wert | Typ |
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10.1002/zaac.200500524 | DOI |
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Stichwörter / Keywords: | Shandite • Ferromagnetic phase transition • Electronic structure • Half metal • Metal semiconductor transition |
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Dewey-Dezimal-Klassifikation: | 500 Naturwissenschaften und Mathematik > 540 Chemie |
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Status: | Veröffentlicht |
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Begutachtet: | Ja, diese Version wurde begutachtet |
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An der Universität Regensburg entstanden: | Ja |
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Dokumenten-ID: | 13620 |
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Zusammenfassung
Half antiperovskites were investigated within the series Sn2-xInxCo3S2 by X-ray diffraction, thermal analysis, and DFT band structure calculations. The shandite type structure was confirmed from powder and single crystal diffraction for the studied compounds. Co orders like Ni in the previously studied InNi3/2S. SnCo3/2S is metrically pseudo cubic and can easily be deduced from the antiperovskite ...
Zusammenfassung
Half antiperovskites were investigated within the series Sn2-xInxCo3S2 by X-ray diffraction, thermal analysis, and DFT band structure calculations. The shandite type structure was confirmed from powder and single crystal diffraction for the studied compounds. Co orders like Ni in the previously studied InNi3/2S. SnCo3/2S is metrically pseudo cubic and can easily be deduced from the antiperovskite MgCo3C. The Curie temperature Tc = -97 °C of SnCo3/2S was confirmed by calorimetric data. Its electronic structure indicates a spin type IA half metallic ground state. Upon In doping the crystal structure becomes hexagonally distorted towards a higher chex/ahex relation. The Curie temperature rapidly falls below -135 °C for x(In) = 0.4. A metal to semiconductor transition is predicted for ordered InSnCo3S2 from its electronic band structure. For InCo3/2S a non magnetic metallic ground state is found.