Journal of Electron Spectroscopy and Related Phenomena最新文献

Corrigendum to “Quantitative mapping of calcium cell reservoirs in cyanobacteria at the submicrometer scale” [J. Electron Spectrosc. Relat. Phenom. 267 (2023), 147369] “在亚微米尺度上蓝藻中钙细胞储库的定量测绘”的勘误表[J]。电子Spectrosc。遗传代数。现象。267 (2023),147369]

IF 1.5 4区物理与天体物理

Journal of Electron Spectroscopy and Related Phenomena Pub Date : 2026-05-01 Epub Date: 2026-04-22 DOI: 10.1016/j.elspec.2026.147615

Karim Benzerara , Sigrid Görgen , Monis Athar Khan , Franck Chauvat , Katia March , Nicolas Menguy , Neha Mehta , Fériel Skouri-Panet , Sufal Swaraj , Cynthia Travert , Corinne Cassier-Chauvat , Elodie Duprat

引用次数: 0

Franck–Condon profiles for the X2B1 ← X1A1 band of the anion photoelectron spectroscopy of OIO based on discrete variable representation 基于离散变量表示的OIO阴离子光电子能谱X2B1←X1A1波段的frank - condon谱线

IF 1.5 4区物理与天体物理

Journal of Electron Spectroscopy and Related Phenomena Pub Date : 2026-03-01 Epub Date: 2026-01-30 DOI: 10.1016/j.elspec.2026.147593

Guohua Xu

{"title":"Franck–Condon profiles for the X2B1 ← X1A1 band of the anion photoelectron spectroscopy of OIO based on discrete variable representation","authors":"Guohua Xu","doi":"10.1016/j.elspec.2026.147593","DOIUrl":"10.1016/j.elspec.2026.147593","url":null,"abstract":"<div><div>The three-dimensional potential energy surfaces around the equilibrium geometries of OIO‾(X<sup>1</sup>A<sub>1</sub>) and OIO(X<sup>2</sup>B<sub>1</sub>) were calculated with two double hybrid density functionals XYGJ-OS and XDH-PBE0 and three hybrid density functionals B3LYP, MPW1PBE and B97–3 in conjunction with various basis sets. The potential energy surfaces were used in calculations of anharmonic vibrational wavefunctions of OIO‾(X<sup>1</sup>A<sub>1</sub>) and OIO(X<sup>2</sup>B<sub>1</sub>) by virtue of discrete variable representation. Therefrom, the vibrational frequencies including anharmonicity of both states were obtained, and the Franck-Condon factors between these two states were calculated including allowance for anharmonicity and Duschinsky effect. The X<sup>2</sup>B<sub>1</sub> ← X<sup>1</sup>A<sub>1</sub> band of the anion photoelectron spectroscopy of OIO was then simulated using the computed Franck-Condon factors broadened with a Gaussian line shape. Based on the theoretical Franck-Condon factors, a more detailed assignment of the observed vibrational structure of the photoelectron spectrum, which includes the photodetachment from vibrational excited states of OIO‾(X<sup>1</sup>A<sub>1</sub>) has been proposed. Comparison between the simulated and experimental spectra by iterative Franck-Condon analysis procedure has been made, the equilibrium geometrical parameters for OIO anion have been derived to be r(OI)= 1.8508 ± 0.0003 Å and θ(OIO)= 107.9 ± 0.3º.</div></div>","PeriodicalId":15726,"journal":{"name":"Journal of Electron Spectroscopy and Related Phenomena","volume":"285 ","pages":"Article 147593"},"PeriodicalIF":1.5,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146077018","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Electron inelastic mean free path in MoO3 thin films MoO3薄膜中的电子非弹性平均自由程

IF 1.5 4区物理与天体物理

Journal of Electron Spectroscopy and Related Phenomena Pub Date : 2026-03-01 Epub Date: 2026-02-09 DOI: 10.1016/j.elspec.2026.147602

Georghii Tchoudinov , Seyed Javad Rezvani , Stefano Nannarone , Andrea Di Cicco

{"title":"Electron inelastic mean free path in MoO3 thin films","authors":"Georghii Tchoudinov , Seyed Javad Rezvani , Stefano Nannarone , Andrea Di Cicco","doi":"10.1016/j.elspec.2026.147602","DOIUrl":"10.1016/j.elspec.2026.147602","url":null,"abstract":"<div><div>Determination of the electron inelastic mean free path (IMFP) in complex and functional materials is a fascinating problem for which scattered results can be found in present literature. Knowledge of the IMFP is crucial in determining the probing depth of several important techniques based on the collection of electrons excited by external probes. In particular no experimental data can be found for several oxides including MoO<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>, a promising material used in several forms for applications. To the purpose of measuring the IMFP, we performed accurate constant initial state (CIS) <em>Si2p</em> photoemission experiments on Si wafers covered with layers of amorphous MoO<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span> of variable thickness, using synchrotron radiation in a variable photon energy range 135–280 eV at the BEAR beamline at Elettra. In particular the SiO<span><math><msub><mrow></mrow><mrow><mi>x</mi></mrow></msub></math></span> photoemission peak has been analyzed, selecting only those photoelectrons which originate from the native oxide layer of the silicon wafer. The electron Inelastic Mean Free Path has been derived using a first-order treatment for elastic scattering. This latter is justified by the particular experimental conditions, namely the use of a thin overlayer and a small analyzer acceptance angle. Present IMFP results are compared with previous semi-empirical models, improving our present knowledge of the IMFP curve in amorphous MoO<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span> and opening new experimental possibilities for accurate measurements of the probing depth in functional materials.</div></div>","PeriodicalId":15726,"journal":{"name":"Journal of Electron Spectroscopy and Related Phenomena","volume":"285 ","pages":"Article 147602"},"PeriodicalIF":1.5,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146191008","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A relativistic reinterpretation of the Bremsstrahlung isochromat spectroscopy of uranium materials 铀材料轫致等色光谱的相对论性重新解释

IF 1.5 4区物理与天体物理

Journal of Electron Spectroscopy and Related Phenomena Pub Date : 2026-01-01 Epub Date: 2025-12-09 DOI: 10.1016/j.elspec.2025.147577

J.G. Tobin , A. Kutepov

引用次数: 0

L- shell X-ray production cross sections for Au and Bi induced by 30 MeV to 75 MeV boron ions 30 MeV至75 MeV硼离子诱导Au和Bi的L壳层x射线生成截面

IF 1.5 4区物理与天体物理

Journal of Electron Spectroscopy and Related Phenomena Pub Date : 2026-01-01 Epub Date: 2025-12-11 DOI: 10.1016/j.elspec.2025.147588

Balwinder Singh , Shehla , Anil Kumar , Deepak Swami , Ajay Kumar , Sanjiv Puri

引用次数: 0

Automated determination of ionization energy and electron affinity from UPS and LEIPS spectra based on piecewise polynomial fitting 基于分段多项式拟合的UPS和LEIPS光谱电离能和电子亲和力的自动测定

IF 1.5 4区物理与天体物理

Journal of Electron Spectroscopy and Related Phenomena Pub Date : 2026-01-01 Epub Date: 2026-01-07 DOI: 10.1016/j.elspec.2025.147591

Daichi Egami , Hiroyuki Yoshida

{"title":"Automated determination of ionization energy and electron affinity from UPS and LEIPS spectra based on piecewise polynomial fitting","authors":"Daichi Egami , Hiroyuki Yoshida","doi":"10.1016/j.elspec.2025.147591","DOIUrl":"10.1016/j.elspec.2025.147591","url":null,"abstract":"<div><div>Precise determination of ionization energy (IE) and electron affinity (EA) is essential for elucidating the electronic structure of semiconductors. In the solid state, these quantities are most accurately obtained from the spectral onsets of ultraviolet photoelectron spectroscopy (UPS) and low-energy inverse photoelectron spectroscopy (LEIPS), respectively. Conventional onset determination relies on manual fitting, which is time-consuming and requires experience. For future automated measurements, automated data analysis will be indispensable. Here, we propose an automated analysis approach that combines piecewise polynomial fitting with tangent intersection to extract IE and EA from UPS and LEIPS spectra. Applied to various organic semiconductors and polymer samples, the automated results exhibit excellent agreement with manual analysis, achieving accuracies of ±0.002 eV for UPS and ±0.02 eV for LEIPS—well below the commonly assumed uncertainties and instrumental resolutions of these techniques. The method demonstrates robust performance even for spectra with low signal-to-noise ratios or unclear onset, with no outliers exceeding 0.1 eV. This framework offers a reliable solution for automated spectral analysis, paving the way for large-scale database development and data-driven materials discovery.</div></div>","PeriodicalId":15726,"journal":{"name":"Journal of Electron Spectroscopy and Related Phenomena","volume":"284 ","pages":"Article 147591"},"PeriodicalIF":1.5,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145921799","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Improved magnetic domain imaging in photoelectron emission microscopy using symmetry analysis and momentum selection 利用对称分析和动量选择改进光电子发射显微镜磁畴成像

IF 1.5 4区物理与天体物理

Journal of Electron Spectroscopy and Related Phenomena Pub Date : 2026-01-01 Epub Date: 2026-01-27 DOI: 10.1016/j.elspec.2026.147592

Frank O. Schumann , Jürgen Henk

{"title":"Improved magnetic domain imaging in photoelectron emission microscopy using symmetry analysis and momentum selection","authors":"Frank O. Schumann , Jürgen Henk","doi":"10.1016/j.elspec.2026.147592","DOIUrl":"10.1016/j.elspec.2026.147592","url":null,"abstract":"<div><div>Magnetic circular dichroism in photoemission provides a powerful tool for probing the electronic and magnetic structure of ferromagnets. In the threshold regime, the use of laboratory light sources enables magnetic domain imaging with photoelectron emission microscopy (PEEM), but the achievable magnetic contrast is typically weak, leading to long acquisition times. In this work, we present a theoretical study of contrast enhancement in threshold-photoemission PEEM based on symmetry considerations and relativistic one-step photoemission calculations. We show that surface symmetry imposes specific relations among the fundamental dichroic intensities and the corresponding asymmetries, which can be exploited by momentum selection using an aperture in the PEEM. As a prototype system, we investigate in-plane and perpendicular magnetized Fe(001). Our results demonstrate that sizable magnetic domain contrast can be achieved at low photon energies by selecting appropriate emission directions, providing a practical route toward efficient laboratory-based magnetic domain imaging.</div></div>","PeriodicalId":15726,"journal":{"name":"Journal of Electron Spectroscopy and Related Phenomena","volume":"284 ","pages":"Article 147592"},"PeriodicalIF":1.5,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146073658","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Ionization study of C2N2, C4N2, and C6N2 molecules relevant to astrophysical environment 与天体物理环境相关的C2N2、C4N2和C6N2分子的电离研究

IF 1.5 4区物理与天体物理

Journal of Electron Spectroscopy and Related Phenomena Pub Date : 2026-01-01 Epub Date: 2026-01-07 DOI: 10.1016/j.elspec.2025.147590

Bini Thomas, Dhanoj Gupta

{"title":"Ionization study of C2N2, C4N2, and C6N2 molecules relevant to astrophysical environment","authors":"Bini Thomas, Dhanoj Gupta","doi":"10.1016/j.elspec.2025.147590","DOIUrl":"10.1016/j.elspec.2025.147590","url":null,"abstract":"<div><div>We report the theoretical investigations of electron impact ionization processes on astrophysically important molecules <span><math><mrow><msub><mrow><mi>C</mi></mrow><mrow><mn>2</mn></mrow></msub><msub><mrow><mi>N</mi></mrow><mrow><mn>2</mn></mrow></msub></mrow></math></span>, <span><math><mrow><msub><mrow><mi>C</mi></mrow><mrow><mn>4</mn></mrow></msub><msub><mrow><mi>N</mi></mrow><mrow><mn>2</mn></mrow></msub></mrow></math></span>, and <span><math><mrow><msub><mrow><mi>C</mi></mrow><mrow><mn>6</mn></mrow></msub><msub><mrow><mi>N</mi></mrow><mrow><mn>2</mn></mrow></msub></mrow></math></span>, which are relevant to Titan’s atmosphere. We report partial, direct, and total ionization cross section and the corresponding ionization rate coefficients for these targets. The calculations were carried out using the binary encounter Bethe (BEB) model, modified BEB and the mass spectrum dependence (MSD) methods applied over a broad energy range from ionization thresholds up to 5000 eV. The total ionization cross section results show good agreement with previously reported values in the literature. This study provides a theoretically new and detailed analysis of the dissociative ionization processes by electron impact and reports for the first time the ionization rate coefficients for these molecules. The direct ionization cross section for positron impact is also calculated for which there are no data. Furthermore, we have theoretically determined the appearance energies of the cations originating from the parent molecule.</div></div>","PeriodicalId":15726,"journal":{"name":"Journal of Electron Spectroscopy and Related Phenomena","volume":"284 ","pages":"Article 147590"},"PeriodicalIF":1.5,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145921800","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Automated analysis of low-energy inverse photoelectron spectra using machine learning 利用机器学习的低能逆光电子能谱自动分析

IF 1.5 4区物理与天体物理

Journal of Electron Spectroscopy and Related Phenomena Pub Date : 2026-01-01 Epub Date: 2025-12-29 DOI: 10.1016/j.elspec.2025.147589

Yuki Kusano , Hiroyuki Yoshida

{"title":"Automated analysis of low-energy inverse photoelectron spectra using machine learning","authors":"Yuki Kusano , Hiroyuki Yoshida","doi":"10.1016/j.elspec.2025.147589","DOIUrl":"10.1016/j.elspec.2025.147589","url":null,"abstract":"<div><div>The electron affinity (EA) of semiconductors is the energy of the conduction band edge with respect to the vacuum level and represents the electron conduction level. The EAs of organic semiconductors are most precisely determined by low-energy inverse photoelectron spectroscopy (LEIPS). However, data analysis to determine EA from a LEIPS spectrum requires skilled analysts and time-consuming procedures. In this study, we developed a machine learning-based automated analysis method. The vacuum level was determined with an accuracy of 0.01 eV by analyzing the low-energy electron transmission (LEET) spectrum using linear regression. The onset of the LEIPS spectrum was determined by applying Random Forest and Gradient Boosting as learning models to 253 experimental LEIPS spectra derived from measurements of 27 organic semiconductors as the training dataset. By implementing the smoothing process and augmenting the training data in the energy direction, we achieved a prediction accuracy of within ±0.2 eV (±0.1 eV) for 90 % (70 %) and 91 % (74 %) of the test data as the average of six partitions for the Gradient Boosting and Random Forest models, respectively. The fully automated determination of EA is realized by the combined use of LEET and LEIPS spectral onset analyses.</div></div>","PeriodicalId":15726,"journal":{"name":"Journal of Electron Spectroscopy and Related Phenomena","volume":"284 ","pages":"Article 147589"},"PeriodicalIF":1.5,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145880817","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

XPS diagnostics of GaAs-based semiconductors with surface cleaning by ion etching 离子蚀刻表面清洗gaas基半导体的XPS诊断

IF 1.5 4区物理与天体物理

Journal of Electron Spectroscopy and Related Phenomena Pub Date : 2026-01-01 Epub Date: 2025-12-12 DOI: 10.1016/j.elspec.2025.147587

V.M. Mikoushkin, E.A. Markova

引用次数: 0