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arXiv 0911.2239cond-mat.supr-con
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CaC $_6$的声子色散和低能反常

Phonon dispersion and low energy anomaly in CaC$_6$

Matteo D'Astuto, Matteo Calandra, N. Bendiab, G. Loupias, Francesco Mauri, Shuyun Zhou, Jeff Graf, Alessandra Lanzara, N. Emery, C. Herold, P. Lagrange, D. Peti… 展开作者

Matteo D'Astuto, Matteo Calandra, N. Bendiab, G. Loupias, Francesco Mauri, Shuyun Zhou, Jeff Graf, Alessandra Lanzara, N. Emery, C. Herold, P. Lagrange, D. Petitgrand, Moritz Hoesch

摘要:

本文报道了用非弹性X射线和中子散射测量CaC $_6$的声子色散。我们发现良好的整体协议,特别是在50兆电子伏的能量区域,实验数据和第一性原理密度泛函理论计算之间。然而,在沿$(1 1 1)$轴的菱形表示纵向色散,我们发现一个意想不到的反交叉与一个额外的纵向模式,在约11毫电子伏。在可比的能量下,我们还观察到在面内方向上的意外强度。这些结果解决了以前不正确的分配的纵向声子模式的横向模式在相同的能量范围内。通过计算电子的磁化率从第一原理,我们表明,这种纵向激发是不太可能是由于等离子体激元,因此可能是由于存在于样品中的缺陷或空位。

英文摘要:

We report measurements of phonon dispersion in CaC$_6$ using inelastic X-ray and neutron scattering. We find good overall agreement, particularly in the 50 meV energy region, between experimental data and first-principles density-functional-theory calculations. However, on the longitudinal dispersion along the $(1 1 1)$ axis of the rhombohedral representation, we find an unexpected anti-crossing with an additional longitudinal mode, at about 11 meV. At a comparable energy, we observe also unexpected intensity on the in-plane direction. These results resolve the previous incorrect assignment of a longitudinal phonon mode to a transverse mode in the same energy range. By calculating the electron susceptibility from first principles we show that this longitudinal excitation is unlikely to be due to a plasmon and consequently can probably be due to defects or vacancies present in the sample.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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