Synthesis, Crystal Structure, Resistivity, Magnetic, and Theoretical Study of ScUS3
In: ISSN: 0020-1669, 2015
academicJournal
Zugriff:
International audience ; Single crystals of ScUS3 were synthesized in high yield in a single step at 1173 K. ScUS3 crystallizes in the FeUS3 structure type in the space group D(2h)(17)Cmcm of the orthorhombic system with four formula units in a cell of dimensions a = 3.7500(8) angstrom, b = 12.110(2) angstrom, and c = 9.180(2) angstrom. Its structure consists of edge- and corner-sharing ScS6 octahedra that form two-dimensional layers. U atoms between layers are connected to eight S atoms in a bicapped trigonal-prismatic fashion. ScUS3 can be easily charge-balanced as Sc3+U3+(S2-)(3) as there are no S-S single bonds present in the crystal structure. High temperature-dependent resistivity measurements on a single crystal of ScUS3 show semiconducting behavior with an activation energy of 0.09(1) eV. A magnetic study on powdered single crystals of ScUS3 reveals an antiferromagnetic transition at 198 K followed by a ferromagnetic transition at 75 K. The weak ferromagnetic behavior at low temperature may originate from canted antiferromagnetic spins. A density functional theory (DFT) calculation predicts ScUS3 to be ferromagnetic and either a very poor metal or a semiconductor with a very small gap.
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Synthesis, Crystal Structure, Resistivity, Magnetic, and Theoretical Study of ScUS3
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Autor/in / Beteiligte Person: | Prakash, Jai ; Mesbah, Adel ; Ward, Matthew D. ; Lebègue, Sébastien ; Malliakas, Christos D. ; Lee, Minseong ; Choi, Eun Sang ; Ibers, James A. ; Northwestern University Evanston ; Interfaces de Matériaux en Evolution (LIME) ; Institut de Chimie Séparative de Marcoule (ICSM - UMR 5257) ; Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Institut de Chimie - CNRS Chimie (INC-CNRS)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Institut de Chimie - CNRS Chimie (INC-CNRS)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS) ; Cristallographie, Résonance Magnétique et Modélisations (CRM2) ; Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS) ; Florida State University Tallahassee (FSU) ; National High Magnetic Field Laboratory (NHMFL) ; FSU |
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Zeitschrift: | ISSN: 0020-1669, 2015 |
Veröffentlichung: | HAL CCSD ; American Chemical Society, 2015 |
Medientyp: | academicJournal |
DOI: | 10.1021/ic502656u |
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