2005
DOI: 10.1103/physrevb.71.085114
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Fermi surface nesting and charge-density wave formation in rare-earth tritellurides

Abstract: The Fermi surface of rare-earth tri-tellurides (RTe3) is investigated in terms of the nesting driven charge-density wave formation using positron annihilation and first-principles LMTO calculations. Fermi surface nesting is revealed as a strong candidate for driving charge-density wave formation in these compounds. The nesting vector obtained from positron annihilation experiments on GdTe3 is determined to be q = (0.28 ± 0.02, 0, 0) a * , (a * = 2π/a), in excellent agreement with previous experimental and theo… Show more

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Cited by 120 publications
(123 citation statements)
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“…Comparisons with several similarly-structured RTe 3 and RTe 2 systems [11,16,17,27] help paint a fuller picture. In both families of compounds, the Te layer is a common feature and CDWs exist along a major axis.…”
Section: Discussionmentioning
confidence: 99%
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“…Comparisons with several similarly-structured RTe 3 and RTe 2 systems [11,16,17,27] help paint a fuller picture. In both families of compounds, the Te layer is a common feature and CDWs exist along a major axis.…”
Section: Discussionmentioning
confidence: 99%
“…1a). The Fermi surface projected onto the a*-c* reciprocal space plane [17] potentially can support two degenerate CDWs along the a and c-axes, respectively (Fig. 1b), if the lattice is tetragonal.…”
mentioning
confidence: 99%
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“…Although the high-temperature NS cannot be studied experimentally since T CDW is anticipated to be above the melting point of the material, we can nevertheless draw some predictions by exploiting our data and the bandstructure calculations. 13,14 The Te p x and p y orbitals have a strong 2D character ͑i.e., they have a negligible dispersion along the direction orthogonal to the Te layers͒. These bands are well approximated by a tight-binding model 15 in which, taking into account the stoichiometry, the Fermi level lies above half-filling ͑i.e., at 3.25 eV below the top of the bands͒, 29 indicating that charge carriers are holelike.…”
Section: Discussionmentioning
confidence: 99%
“…8 The rare-earth atom is trivalent for all members of the series 8 and thus the electronic structure is quite similar in all of them. Band structure calculations 9,13,14 reveal that the electronic bands at the Fermi level derive from the Te p x and p y in-plane orbitals, leading to a very simple FS, a large part of which is nested by a single wave vector q ជ = ͑0,x͒, x Ӎ 0.29a * ͑a * =2 / a͒ in the base plane of the reciprocal lattice. 14 This nesting appears to be the driving mechanism for the CDW instability.…”
Section: Introductionmentioning
confidence: 99%