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As the temperature dependence of the CDW gap is not known in R Te3, we choose pressure (both chemical and applied) as tunable variable.
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As the temperature dependence of the CDW gap is not known in R Te3, we choose pressure (both chemical and applied) as tunable variable.
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The calculations were done with hardness-conserving semilocal pseudopotentials for all states below the 4d shell for Te and the 5s shell for the rare-earth atoms [10.1103/PhysRevB.66.155125
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the k -space integrations have been performed with an unshifted 6×2×6 (2×2×6) mesh, which amounts to 40 (16) symmetry unique k points in the calculations for the primitive (super)cell. A thermal broadening of 1 mHartree has been used. The total energy has been modified with the entropy term proposed by 10.1103/PhysRevB.45.13709
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the k -space integrations have been performed with an unshifted 6×2×6 (2×2×6) mesh, which amounts to 40 (16) symmetry unique k points in the calculations for the primitive (super)cell. A thermal broadening of 1 mHartree has been used. The total energy has been modified with the entropy term proposed by M. Weinert and J. W. Davenport, Phys. Rev. B 45, 13709 (1992) to make the energy functional variational. 10.1103/PhysRevB.45. 13709
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An orthorhombic pseudotetragonal (a=c) structure was considered, as the small deviations between a and c were found to be insignificant in an earlier high-precision calculation of the Fermi surface [10.1103/PhysRevB.71.085114
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An orthorhombic pseudotetragonal (a=c) structure was considered, as the small deviations between a and c were found to be insignificant in an earlier high-precision calculation of the Fermi surface [J. Laverock, S. B. Dugdale, Z. Major, M. A. Alam, N. Ru, I. R. Fisher, G. Santi, and E. Bruno, Phys. Rev. B 71, 085114 (2005)]. 10.1103/PhysRevB.71.085114
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57149140791
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We also collected data (not shown here) with the scattered light polarization orthogonal to the incident one and obtained results fully consistent with those of the parallel polarization [Fig. 3].
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We also collected data (not shown here) with the scattered light polarization orthogonal to the incident one and obtained results fully consistent with those of the parallel polarization [Fig. 3].
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57149146636
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The unit cell in the distorted structure is not centrosymmetric anymore, so that the A1g symmetry turns into A1. The period of the angle-dependent intensity is 180° (90°) for the A1 (B1) symmetry.
-
The unit cell in the distorted structure is not centrosymmetric anymore, so that the A1g symmetry turns into A1. The period of the angle-dependent intensity is 180° (90°) for the A1 (B1) symmetry.
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29
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57149146775
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The sudden disappearance of the modes in the Raman spectra of Gd and Dy tritellurides [Fig. 1] could also originate from the fact that the data were collected at 300 K, i.e., just slightly below their own TCDW (Ref.).
-
The sudden disappearance of the modes in the Raman spectra of Gd and Dy tritellurides [Fig. 1] could also originate from the fact that the data were collected at 300 K, i.e., just slightly below their own TCDW (Ref.).
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30
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57149142995
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The behavior of the weak P3 and P5 peaks is less well defined, while the intensity of the P1 peak, which is only partially seen in the chemical-pressure series, does not seem to change much.
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The behavior of the weak P3 and P5 peaks is less well defined, while the intensity of the P1 peak, which is only partially seen in the chemical-pressure series, does not seem to change much.
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