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Electronic structures of RTe2 (R=La,Ce) have been investigated by using the local spin density approximation (LSDA) and the LSDA + U (U: on-site Coulomb interaction) band methods. Both LaTe2 and CeTe2 show the very similar Fermi surface nesting features along the [100] direction, which drive the charge-density wave (CDW) instability in the Te(1) sheets. The contribution near E(F) from Ce 4f states is negligible in agreement with the measured ARPES spectra. In the semimetallic CDW-distorted RTe2, both Te vacancy and pressure induce the charge transfer from Te(1) 5p to R 5d states, producing the enhanced density of states at E(F). We suggest that these increased self-doped Te(1) 5p hole carriers are responsible for the pressure-induced superconductivity in nonstoichiometric CeTe1.82.

physical review letters

Electronic Structures of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>R</mml:mi><mml:msub><mml:mrow><mml:mi mathvariant="normal">T</mml:mi><mml:mi mathvariant="normal">e</mml:mi></mml:mrow><mml:mn>2</mml:mn></mml:msub></mml:math>(<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>R</mml:mi><mml:mo>=</mml:mo><mml:mi mathvariant="normal">L</mml:mi><mml:mi mathvariant="normal">a</mml:mi><mml:mo>,</mml:mo><mml:mi mathvariant="normal">C</mml:mi><mml:mi mathvariant="normal">e</mml:mi></mml:math>): A Clue to the Pressure-Induced Superconductivity in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow><mml:mi mathvariant="normal">C</mml:mi><mml:mi mathvariant="normal">e</mml:mi><mml:mi mathvariant="normal">T</mml:mi><mml:mi mathvariant="normal">e</mml:mi></mml:mrow><mml:mn>1.82</mml:mn></mml:msub></mml:math>

Electronic Structures ofRTe2(R=La,Ce): A Clue to the Pressure-Induced Superconductivity inCeTe1.82