Theory of momentum-resolved phonon spectroscopy in the electron microscope
Theory of momentum-resolved phonon spectroscopy in the electron microscope
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DOI：
10.1103/physrevb.99.094105
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发表时间：
2018-04
影响因子：
3.7
通讯作者：
R. Nicholls;F. Hage;D. McCulloch;Q. Ramasse;K. Refson;J. Yates
中科院分区：
文献类型：
--
作者：
R. Nicholls;F. Hage;D. McCulloch;Q. Ramasse;K. Refson;J. Yates
我们为预测和解释由电子的相干非弹性散射引起的动量相关声子谱提供了理论框架。我们用第一原理晶格动力学和周期密度泛函理论完成了这一方法，并与最近在扫描电子显微镜下测量的立方氮化硼和六方氮化硼的电子能量损失进行了比较。理论和实验的结合提供了在电子显微镜中解释在纳米空间分辨率下获得的动量相关声子谱的能力。
We provide a theoretical framework for the prediction and interpretation of momentum-dependent phonon spectra due to coherent inelastic scattering of electrons. We complete the approach with first-principles lattice dynamics using periodic density functional theory and compare to recent electron energy-loss measurements on cubic and hexagonal boron nitride performed within a scanning transmission electron microscope. The combination of theory and experiment provides the ability to interpret momentum-dependent phonon spectra obtained at nanometer spatial resolution in the electron microscope.