Nonadiabatic Kohn Anomaly in Heavily Boron-Doped Diamond.
Nonadiabatic Kohn Anomaly in Heavily Boron-Doped Diamond.
复制标题
DOI：
10.1103/physrevlett.119.017001
复制
发表时间：
2017-06
影响因子：
8.6
通讯作者：
F. Caruso;M. Hoesch;P. Achatz;J. Serrano;M. Krisch;É. Bustarret;F. Giustino
中科院分区：
文献类型：
--
作者：
F. Caruso;M. Hoesch;P. Achatz;J. Serrano;M. Krisch;É. Bustarret;F. Giustino
我们报告的非绝热科恩异常硼掺杂金刚石的证据，使用联合的声子色散关系的理论和实验分析。我们表明，使用密度泛函微扰理论的声子的标准计算是无法重现的高分辨率非弹性X射线散射测量的高能量声子的色散关系。相反，通过考虑非绝热效应在多体场论框架内，我们得到了很好的协议与我们的实验数据。这一结果表明，在硼掺杂金刚石的声子色散关系的玻恩-奥本海默近似的故障。
We report evidence of a nonadiabatic Kohn anomaly in boron-doped diamond, using a joint theoretical and experimental analysis of the phonon dispersion relations. We demonstrate that standard calculations of phonons using density-functional perturbation theory are unable to reproduce the dispersion relations of the high-energy phonons measured by high-resolution inelastic x-ray scattering. On the contrary, by taking into account nonadiabatic effects within a many-body field-theoretic framework, we obtain excellent agreement with our experimental data. This result indicates a breakdown of the Born-Oppenheimer approximation in the phonon dispersion relations of boron-doped diamond.