Thermoelectricity and localized f-band control by dp-hybridization on the Ce1-x Cux Se2 compounds

Jong Soo Rhyee, Eunseog Cho, Kyu Hyoung Lee, Sang Mock Lee, Hyun Sik Kim, Yong Seung Kwon

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4 Citations (Scopus)


We measured the temperature-dependent thermal conductivity κ(T), Seebeck coefficient S(T), and electrical resistivity ρ(T) of the polycrystalline Ce1-x Cux Se2 (x=0.0, 0.1, 0.2, and 0.3) series compounds. The high temperature thermoelectric property measurements of Ce0.9 Cu0.1 Se2 have shown that the maximum thermoelectric figure-of-merit (ZT) reached up to 0.18 at 800 K due to the large Seebeck coefficient (S≈344 μV/K) and relatively low thermal conductivity (κ=0.71 W m-1 K-1). By increasing the Cu-doping concentration (x≥0.2), the ZT is lowered mainly due to increasing the thermal conductivity. From the band structure calculation, the high Seebeck coefficient for the Ce0.9 Cu0.1 Se 2 compound is attributed to the localized Ce f-band near the Fermi level due to Cu d-and Se p-orbital hybridization. The localized f-band has been shifted to a higher energy from the Fermi level with increased Cu-doping concentration, which is consistent with the decrease in the Seebeck coefficient. This research proposes that the orbital hybridization control on the layered structure rare-earth dichalcogenides is promising for high ZT thermoelectric materials development.

Original languageEnglish
Article number053705
JournalJournal of Applied Physics
Issue number5
Publication statusPublished - 2010

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)


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