Fig. 4: The renormalized phonon dispersion. | npj Computational Materials

Fig. 4: The renormalized phonon dispersion.

From: A hybrid Monte Carlo study of bond-stretching electron–phonon interactions and charge order in BaBiO3

Fig. 4

a Ω(q, iνn = 0) along the high-symmetry cuts of the first Brillouin zone, computed on an L = 10 lattice. As the temperature is lowered Ω(q, iνn = 0) softens at the ordering wave-vector q = (π, π, π)a−1, with other q remaining essentially pinned at Ω0. The inset shows the softening of the Ω(qcdw, 0) mode specifically versus β. b Ω(q, iνn = 0) for different lattice sizes, measured at a fixed inverse temperature β = 12.5 eV−1 below the transition temperature. Here, Ω(q, 0) softens at qcdw for all lattice sizes L = 6, 8, and 10. The inset shows Ω(qcdw, 0) decreasing with increasing lattice size, with the dashed line acting as a guide for the eye. The error bars in this figure are the standard deviation of the mean of our measurements.

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