期刊
CHEMICAL PHYSICS
卷 557, 期 -, 页码 -出版社
ELSEVIER
DOI: 10.1016/j.chemphys.2022.111476
关键词
Solids; Cluster; Dichalcogenides; Photoemission; Photon; Cross section; Wigner time delay
资金
- Basque Departamento de Educacion, Universidades e Investigacion
- University of the Basque Country UPV/EHU [IT1246-19]
- Spanish Ministerio de Ciencia e Innovacion [PID2019-107396 GB-I00, PID2019-105458RB-I00]
- 'Severo Ochoa' Programme for Centres of Excellence in RD [SEV-2016-0686]
- 'Maria de Maeztu' Programme for Units of Excellence in RD [CEX2018-000805-M]
- MareNostrum 4 cluster [QS-2021-1-0037, QS-2020-3-0036, FI-2020-2-0007, FI2020-1-0009]
In this study, we examine the photoemission cross sections and Wigner time delays from MoS2 core-level orbitals. We analyze the scattering effects by neighboring atoms using a cluster approach and progressively larger model clusters. The results show that the Wigner-time-delay scale increases with larger clusters, indicating the presence of high order scattering processes and interference. Furthermore, internal propagation pathways start taking shape for the largest clusters.
We examine the photoemission cross sections and Wigner time delays from MoS2 core-level orbitals Mo4s, Mo4p, S3s. We employ a cluster approach and study the photoemission process for progressively larger model clusters, in order to assess the scattering effects by neighboring atoms. First we explore how the fully differential cross section (FDCS) from the localized orbitals evolves as we increase the cluster size. In order to establish the un-derlying scattering mechanics that are mapped into the FDCS and Wigner time delays, we jointly analyze them in terms of the polar emission angle and photoemission energy for fixed azimuthal angles. The Wigner-time-delay scale goes from a few tens up into the hundreds of attoseconds when increasingly large clusters are considered, indicating the presence of high order scattering processes and interference. We find that, for the largest clusters, some internal propagation pathways start taking shape, which in an infinite system would amount to band structure positive energy states. We conclude that second-or higher-order neighbors around the main emitter strongly affect the photoelectron propagation and yield, therefore supporting their importance for models that aim for quantitative descriptions.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据