Photoelectron Energy Loss Spectroscopy: A Versatile Tool for Material Science

Godet, C.; David, D.; Santana, Victor M.; Almeida, J. S. de; Sébilleau, Didier

doi:10.1007/978-981-15-6116-0_7

Cited by 2 publications

(3 citation statements)

References 96 publications

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“…The energy loss corresponds to the difference between the initial and final states of the core electrons. The energy-loss spectrum is a useful way of examining the electronic, structural, and vibrational characteristics of materials [58]. It reveals the energy-loss or absorption processes that take place when a material is exposed to external stimuli such as photons or electrons.…”

Section: ( ) ( ) ( ) ( )mentioning

confidence: 99%

Effect of tin doping and tin-bromine co-doping on electronic and optical properties of BiOCl crystal: density functional theory

Wakjira,

Tadele,

Gemta

et al. 2024

Mater. Res. Express

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Bismuth oxychloride (BiOCl) is a layered compound known for its exceptional physical, chemical, and optical characteristics, along with notable photocatalytic performance under visible light irradiation. This investigation employed density functional theory (DFT) to analyze the electronic band structure, projected density of states (PDOS), joint density of states (JDOS), and dielectric functions of both pristine BiOCl and various doped crystalline structures utilizing a projected augmented wave basis set. The crystallographic symmetry of doped and co-doped configurations exhibited congruency with the pristine crystals. Electronic band structures were evaluated for pristine, doped, and co-doped crystalline forms. In the case of the co-doped SnxBi1−xOBrxCl1−x crystal (x = 0.0625, 0.125, and 0.25), energy band gaps of 1.40 eV, 1.42 eV, and 1.5 eV were determined, respectively, signifying a reduction in the energy band gap compared to the single doped and undoped BiOCl crystal. Analysis of the PDOS revealed that the valence band (VB) of the SnxBi1−xOBrxCl1−x crystal was characterized by Cl (p), Br (p), O (p), and Sn (s, p) states, while the conduction band (CB) primarily consisted of Bi (p) states. JDOS calculations indicated a shift in peak energy towards lower values, indicating that dopants promoted electron transitions from Cl, Sn, O, and Br p states to the Bi p state. Moreover, investigation of the dielectric function for both pure and doped BiOCl demonstrated that tin-bromine co-doping induced modifications in the static dielectric constant and dielectric permittivity of the unmodified BiOCl crystal. Ultimately, the incorporation of tin and bromine through co-doping exerted a substantial influence on the electronic and optical properties of the doped crystalline materials. Based on our computational assessments, the SnxBi1−xOBrxCl1−x configuration with x = 0.25 showcased superior visible light absorption efficiency compared to other doped variations and pristine BiOCl.

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Section: ( ) ( ) ( ) ( )mentioning

confidence: 99%

Effect of tin doping and tin-bromine co-doping on electronic and optical properties of BiOCl crystal: density functional theory

Wakjira,

Tadele,

Gemta

et al. 2024

Mater. Res. Express

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show abstract

“…Through the use of the dielectric function, this definition offers us a convenient, flexible, and general way to compute the fluctuation potential needed to evaluate the cross section of plasmon peaks for any type of material and dimensionality. Moreover, being based on a proper description of the dielectric function, it makes a direct connection with the PEELS method developed by Godet, David, and coworkers [4,5], thereby reinforcing their idea that this spectroscopy could be used ultimately to map somehow the bulk or surface dielectric functions.…”

Section: Introductionmentioning

confidence: 96%

“…Back in 1990, Osterwalder and coworkers showed that they exhibited photoelectron-diffraction-like features just as their core-level peak [3]. More recently, David, Godet, and coworkers proposed to use these plasmon peaks to extract from their energy distribution some information on the system's dielectric function [4,5]. They termed this new spectroscopy "photoemission electron energy loss spectroscopy" (PEELS).…”

Section: Introductionmentioning

confidence: 99%

Model dielectric functions for fluctuation potential calculations in electron gas: A critical assessment

et al. 2022

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In this article, we report on a critical assessment of dielectric function calculations in electron gas through the comparison of different modeling methods. This work is motivated by the fact that the dielectric function is a key quantity in the multiple scattering description of plasmon features in various electron-based spectroscopies. Starting from the standard random phase approximation (RPA) expression, we move on to correlation-augmented RPA, then damped RPA models. Finally, we study the reconstruction of the dielectric function from its moments, using the Nevanlinna and memory function approaches. We find the memory function method to be the most effective, being highly flexible and customizable.

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Photoelectron Energy Loss Spectroscopy: A Versatile Tool for Material Science

Cited by 2 publications

References 96 publications

Effect of tin doping and tin-bromine co-doping on electronic and optical properties of BiOCl crystal: density functional theory

Effect of tin doping and tin-bromine co-doping on electronic and optical properties of BiOCl crystal: density functional theory

Model dielectric functions for fluctuation potential calculations in electron gas: A critical assessment

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