Synthesis, crystal structure, and properties of novel perovskite oxychalcogenides, Ca2CuFeO3Ch (Ch = S, Se)

Details Synthesis, crystal structure, and properties of novel perovskite oxychalcogenides, Ca2CuFeO3Ch (Ch = S, Se) Synthesis, crystal structure, and properties of novel perovskite oxychalcogenides, Ca2CuFeO3Ch (Ch = S, Se)

2011-10-10

arxiv.org/abs/1110.2035v1

Mat. Res. Bull. 45(12), pp. 2012-2016, 2010

Physics

Condensed Matter

Materials Science

Author version, 17 pages, 4 figures, 3 tables

Scientific paper

10.1016/j.materresbull.2010.07.0

Two new perovskite oxychalcogenides, Ca2CuFeO3S and Ca2CuFeO3Se, have been synthesized in evacuated quartz tubes. They crystallize in P4/nmm space group with lattice parameters a = 3.8271(1), c = 14.9485(2) {\AA} and a = 3.8605(1), c = 15.3030(2) {\AA} for Ca2CuFeO3S and Ca2CuFeO3Se, respectively. They appear to be the first layered chalcogenide perovskites involving calcium and are structural analogs of the corresponding Sr and Ba compounds. The new compounds exhibit semiconducting properties with energy gap decreasing from the oxysulfide to the oxyselenide. Possibility of introducing Ca2+ into structures of known layered oxychalcogenides and oxypnictides is discussed.

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