Lifetime effects and satellites in the photoelectron spectrum of tungsten metal
File(s)
Accepted version
Author(s)
Type
Journal Article
Abstract
Tungsten (W) is an important and versatile transition metal and has a firm place at the heart of many technologies. A popular experimental technique for the characterization of tungsten and tungsten-based compounds is x-ray photoelectron spectroscopy (XPS), which enables the assessment of chemical states and electronic structure through the collection of core level and valence band spectra. However, in the case of tungsten metal, open questions remain regarding the origin, nature, and position of satellite features that are prominent in the photoelectron spectrum. These satellites are a fingerprint of the electronic structure of the material and have not been thoroughly investigated, at times leading to their misinterpretation. The present work combines high-resolution soft and hard x-ray photoelectron spectroscopy (SXPS and HAXPES) with reflected electron energy loss spectroscopy (REELS) and a multitiered ab initio theoretical approach, including density functional theory (DFT) and many-body perturbation theory (G0W0 and
GW
+
C
), to disentangle the complex set of experimentally observed satellite features attributed to the generation of plasmons and interband transitions. This combined experiment-theory strategy is able to uncover previously undocumented satellite features, improving our understanding of their direct relationship to tungsten's electronic structure. Furthermore, it lays the groundwork for future studies into tungsten-based mixed-metal systems and holds promise for the reassessment of the photoelectron spectra of other transition and post-transition metals, where similar questions regarding satellite features remain.
GW
+
C
), to disentangle the complex set of experimentally observed satellite features attributed to the generation of plasmons and interband transitions. This combined experiment-theory strategy is able to uncover previously undocumented satellite features, improving our understanding of their direct relationship to tungsten's electronic structure. Furthermore, it lays the groundwork for future studies into tungsten-based mixed-metal systems and holds promise for the reassessment of the photoelectron spectra of other transition and post-transition metals, where similar questions regarding satellite features remain.
Date Issued
2022-01-21
Date Acceptance
2021-12-03
Citation
Physical Review B: Condensed Matter and Materials Physics, 2022, 105 (4), pp.1-18
ISSN
1098-0121
Publisher
American Physical Society
Start Page
1
End Page
18
Journal / Book Title
Physical Review B: Condensed Matter and Materials Physics
Volume
105
Issue
4
Copyright Statement
©2022 American Physical Society
Identifier
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000747577000002&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=1ba7043ffcc86c417c072aa74d649202
Subjects
ENERGY-LOSS SPECTRA
HOLE-LIFETIME
INELASTICALLY SCATTERED ELECTRONS
Materials Science
Materials Science, Multidisciplinary
OPTICAL-PROPERTIES
Physical Sciences
Physics
Physics, Applied
Physics, Condensed Matter
POPULATION ANALYSIS
QUASI-PARTICLE
SCALING DFT CALCULATIONS
Science & Technology
SURFACE-STATES
Technology
TRANSITION-METALS
X-RAY PHOTOEMISSION
Publication Status
Published
Article Number
ARTN 045129
Date Publish Online
2022-01-21