Plasmon Lifetime in K: A Case Study of Correlated Electrons in Solids Amenable to Ab Initio Theory
Plasmon Lifetime in K: A Case Study of Correlated Electrons in Solids Amenable to Ab Initio Theory
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DOI：
10.1103/physrevlett.82.2350
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发表时间：
1998-11
影响因子：
8.6
通讯作者：
W. Ku;A. T. D. O. Physics;Astronomy;The University of Tennessee;Knoxville;Solid State Physics Division;Oak Ridge National Laboratory;Oak Ridge
中科院分区：
文献类型：
--
作者：
W. Ku;A. T. D. O. Physics;Astronomy;The University of Tennessee;Knoxville;Solid State Physics Division;Oak Ridge National Laboratory;Oak Ridge
我们解决了由K中的等离子体激元线宽的异常色散所带来的困惑，通过全电子密度响应计算，在含时密度泛函理论的框架内进行。关键的阻尼机制被证明是衰变到粒子-空穴对涉及空的$d$对称状态。虽然多粒子相关性的影响很小，但内置于“最终状态”$d$带中的相关性发挥了重要且新颖的作用，与这些平坦带引入的相空间复杂性有关。我们的等离子体激元寿命在K的案例研究说明了从头算范式的重要性，在相关电子系统的激发研究。
We solve the puzzle posed by the anomalous dispersion of the plasmon linewidth in K via all-electron density-response calculations, performed within the framework of time-dependent density-functional theory. The key damping mechanism is shown to be decay into particle-hole pairs involving empty states of $d$ symmetry. While the effect of many-particle correlations is small, the correlations built into the ``final-state'' $d$ bands play an important, and novel, role related to the phase-space complexity introduced by these flat bands. Our case study of plasmon lifetime in K illustrates the importance of ab initio paradigms for the study of excitations in correlated-electron systems.