Synthesis, crystal structure, resistivity, magnetic, and theoretical study of ScUS3

Jai Prakash, Adel Mesbah, Matthew D. Ward, Sébastien Lebègue, Christos D Malliakas, Minseong Lee, Eun Sang Choi, James A Ibers*

*Corresponding author for this work

Research output: Contribution to journalArticle

5 Scopus citations

Abstract

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 D2h17-Cmcm of the orthorhombic system with four formula units in a cell of dimensions a = 3.7500(8) Å, b = 12.110(2) Å, and c = 9.180(2) Å. 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.

Original languageEnglish (US)
Pages (from-to)1684-1689
Number of pages6
JournalInorganic chemistry
Volume54
Issue number4
DOIs
StatePublished - Feb 16 2015

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ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry

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