Vibrational excitation, hole delocalization, and photoelectron line shapes of molecules
Vibrational excitation, hole delocalization, and photoelectron line shapes of molecules
复制标题
分子的振动激发、空穴离域和光电子线形状
DOI：
10.1103/physrevb.20.515
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发表时间：
1979
影响因子：
3.7
通讯作者：
J. W. Gadzuk
中科院分区：
文献类型：
--
作者：
J. W. Gadzuk
在凝聚相准定域态的电子能谱空穴动力学的某些方面定义了本文关注的领域。特别令人感兴趣的是低能震荡卫星（电子空穴对，声子等）之间可能的干扰效应。产生和空穴衰减过程，它们决定了观察到的线的形状。作为一个具体例子，本文考虑了气相弗兰克-康登因子和衬底诱导的空穴离域在从吸附和自由空间分子中的非化学吸附键价轨道确定光发射谱线形状方面的作用和相互作用。目前的理论进行了讨论，根据最近的理论工作，声子加宽和空穴衰减的核心水平的X射线发射，吸收，和光电子能谱。
Certain aspects of hole dynamics in electron spectroscopies of quasilocalized states in the condensed phase define the area of concern in this paper. Of special interest are the possible interference effects between low-energy shakeup satellite (electron-hole pairs, phonons, etc.) production and hole decay processes which determine the observed line shapes. As a specific example, the role and interplay of gas-phase Franck-Condon factors and substrate-induced hole delocalization in determining the photoemission line shape from nonchemisorption bonding-valence orbitals in adsorbed and free-space molecules are considered here. The present theory is discussed in the light of recent theoretical work on phonon broadening and hole decay in core-level x-ray emission, absorption, and photoelectron spectroscopy.