Synthesis, Crystal Structure, and Thermoelectric Properties of Layered Antimony Selenides REOSbSe2 (RE = La, Ce)

Abstract

Inspired by the recent first-principles calculations showing the high thermoelectric performance of layered pnictogen chalcogenides, we experimentally characterise the crystal structure and high-temperature transport properties of the layered antimony selenides REOSbSe2 (RE = La, Ce). The crystal structure of REOSbSe2 was the tetragonal P4/nmm space group, consisting of alternate stacks of SbSe2 and REO layers. These two compounds were n-type semiconductors. The optical band gaps of LaOSbSe2 and CeOSbSe2 were evaluated to be 1.0 and 0.6 eV, respectively. The room-temperature thermal conductivity was 1.5 Wm-1K-1 for RE = La and 0.8 Wm-1K-1 for RE = Ce. These relatively low thermal conductivities were comparable to those of isostructural layered bismuth chalcogenides. We substituted O2- with F- ions to introduce electrons as charged carriers to optimize the thermoelectric performance, but increasing the electrical conductivity was still challenging.

arXiv commentto be published in J. Phys. Soc. Jpn

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• First-principles study of defect formation energies in LaO$X$S${}_2$ ($X=$ Sb, Bi)
• Effect of Bi Substitution on Thermoelectric Properties of SbSe2-based Layered Compounds NdO${}_{0.8}$F${}_{0.2}$Sb${}_{1-x}$Bi${}_x$Se${}_2$
• Growth and physical properties of Ce(O,F)Sb(S,Se)2 single crystals with site-selected chalcogen atoms
• Pressure-induced superconductivity in layered pnictogen diselenide NdO${}_{0.8}$F${}_{0.2}$Sb${}_{1-x}$Bi${}_x$Se${}_2$ (x = 0.3 and 0.7)
• Crystal Structure and Thermoelectric Transport Properties of As-Doped Layered Pnictogen Oxyselenides NdO0.8F0.2Sb1-xAsxSe2