Reitz, Andreas ; Pazniak, Hanna ; Shen, Chen ; Singh, Harish K. ; Jayanthi, K. ; Kubitza, Niels ; Navrotsky, Alexandra ; Zhang, Hongbin ; Wiedwald, Ulf ; Birkel, Christina S. (2022)
Cr3GeN: A Nitride with Orthorhombic Antiperovskite Structure.
In: Chemistry of Materials, 34 (23)
doi: 10.1021/acs.chemmater.2c01524
Artikel, Bibliographie
Kurzbeschreibung (Abstract)
In contrast to ternary oxides, the number of known ternary nitrides is an order of magnitude lower, which is partially the result of their less exothermic free energy of formation and the resulting lower thermodynamic stability. This challenges experimentalists to continuously explore the synthetic parameter space and push toward new nitride phases. Here, we demonstrate the synthesis of a hitherto unknown orthorhombic structure of Cr3GeN, which typically crystallizes in a tetragonal structure. As derived from density functional theory calculations, formation energies of both phases are similar, and orthorhombic Cr3GeN can be stabilized by choosing lower reaction temperatures. According to detailed thermodynamic analysis, the new compound is stable up to 500 °C and exhibits the same phase transitions as the tetragonal phase at higher temperatures. Magnetic characterization suggests antiferromagnetic order for both polymorphs.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2022 |
| Autor(en): | Reitz, Andreas ; Pazniak, Hanna ; Shen, Chen ; Singh, Harish K. ; Jayanthi, K. ; Kubitza, Niels ; Navrotsky, Alexandra ; Zhang, Hongbin ; Wiedwald, Ulf ; Birkel, Christina S. |
| Art des Eintrags: | Bibliographie |
| Titel: | Cr3GeN: A Nitride with Orthorhombic Antiperovskite Structure |
| Sprache: | Englisch |
| Publikationsjahr: | 2022 |
| Verlag: | ACS Publications |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | Chemistry of Materials |
| Jahrgang/Volume einer Zeitschrift: | 34 |
| (Heft-)Nummer: | 23 |
| DOI: | 10.1021/acs.chemmater.2c01524 |
| Kurzbeschreibung (Abstract): | In contrast to ternary oxides, the number of known ternary nitrides is an order of magnitude lower, which is partially the result of their less exothermic free energy of formation and the resulting lower thermodynamic stability. This challenges experimentalists to continuously explore the synthetic parameter space and push toward new nitride phases. Here, we demonstrate the synthesis of a hitherto unknown orthorhombic structure of Cr3GeN, which typically crystallizes in a tetragonal structure. As derived from density functional theory calculations, formation energies of both phases are similar, and orthorhombic Cr3GeN can be stabilized by choosing lower reaction temperatures. According to detailed thermodynamic analysis, the new compound is stable up to 500 °C and exhibits the same phase transitions as the tetragonal phase at higher temperatures. Magnetic characterization suggests antiferromagnetic order for both polymorphs. |
| Fachbereich(e)/-gebiet(e): | 11 Fachbereich Material- und Geowissenschaften 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Theorie magnetischer Materialien 07 Fachbereich Chemie 07 Fachbereich Chemie > Eduard Zintl-Institut > Fachgebiet Anorganische Chemie |
| Hinterlegungsdatum: | 09 Feb 2023 06:39 |
| Letzte Änderung: | 09 Feb 2023 07:52 |
| PPN: | 50471998X |
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