Electronic structure and thermoelectric power of cerium compounds at high pressure

N. V. Chandra Shekar, M. Rajagopalan, J. F. Meng, D. A. Polvani, J. V. Badding

Research output: Contribution to journalArticlepeer-review

24 Scopus citations


The normal and high pressure thermoelectric power (TEP) of three cerium compounds are compared and the origin of the differences in their behaviour is discussed. CePd 3 shows a monotonic increase in thermopower as a function of pressure up to maximum pressure studied ∼5 GPa. In sharp contrast, CeSn 3 shows an increase only up to 2-3 GPa and then starts decreasing. The ambient and high pressure behaviour is discussed by computing electronic structures of three Ce compounds, viz. CePd 3, CeSn 3 and CeIn 3 using TB-LMTO method. The f-band width is larger in CeIn 3 as compared to the other two compounds, explaining the cause for its lower ambient TEP. The density of states of the f-band is maximum, narrower and the closest to the Fermi level in CePd 3 explaining its highest TEP. The band structure does not show much variation at higher compressions for CePd 3 and CeIn 3. However, in the case of CeSn 3, the band structure at higher compressions indicates an electronic topological transition, a possible cause for the pronounced peak TEP, observed in experiment.

Original languageEnglish (US)
Pages (from-to)215-220
Number of pages6
JournalJournal of Alloys and Compounds
Issue number2
StatePublished - Feb 22 2005

All Science Journal Classification (ASJC) codes

  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys
  • Materials Chemistry


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