Journal of Electron Spectroscopy and Related Phenomena最新文献_第2页

State selective total and angular differential cross sections for positronium formation in e+−He collisions e+ 中正电子形成的状态选择性总截面和角微分截面</mml:mr

IF 1.8 4区物理与天体物理

Journal of Electron Spectroscopy and Related Phenomena Pub Date : 2024-07-25 DOI: 10.1016/j.elspec.2024.147470

T. Mistry, A. Haque, B. Mandal, M. Mondal, S. Halder, M. Purkait

{"title":"State selective total and angular differential cross sections for positronium formation in e+−He collisions","authors":"T. Mistry, A. Haque, B. Mandal, M. Mondal, S. Halder, M. Purkait","doi":"10.1016/j.elspec.2024.147470","DOIUrl":"10.1016/j.elspec.2024.147470","url":null,"abstract":"<div>State-selective total and angular differential cross sections for positronium formation are presented in the collision of positron with helium atoms in their ground state by using the four-body formalism of the boundary-corrected continuum-intermediate-states approximation. The main purpose of the present study is to investigate the relative importance of intermediate ionization continuum states that has been incorporated with a suitable choice of distorting potential. In addition, the nine-dimensional integrals of the transition amplitude are analytically reduced to a one-dimensional real integral, which can be easily calculated numerically. The influence of the target static electron correlations on the capture probability is investigated using the different bound-state wave functions of He. The theoretical model for the calculation is fairly accurate and predicts a number of interesting features of the state-selective total and differential cross sections in the range of positron impact energy varies from 20 to <math><mrow><mn>250</mn><mspace></mspace><mi>eV</mi></mrow></math>. The total cross sections are highly peaked at an impact energy of 50 eV. The results are compared with those of other theories and the available experimental data. The present theoretical results and other measurements show satisfactory agreement in the wide energy range. Moreover, surface plots for the state-selective differential cross sections are also presented to illustrate the interesting feature of the positronium formation in this collision process.</div>","PeriodicalId":15726,"journal":{"name":"Journal of Electron Spectroscopy and Related Phenomena","volume":"275 ","pages":"Article 147470"},"PeriodicalIF":1.8,"publicationDate":"2024-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141844225","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

Investigating empirical and theoretical calculations for intensity ratios of L-Shell X-ray transitions in atoms with 39 ≤ Z ≤ 94 研究 39 ≤ Z ≤ 94 原子 L 壳 X 射线跃迁强度比的经验计算和理论计算

IF 1.8 4区物理与天体物理

Journal of Electron Spectroscopy and Related Phenomena Pub Date : 2024-07-20 DOI: 10.1016/j.elspec.2024.147473

A. Zidi , A. Kahoul , J.P. Marques , S. Daoudi , J.M. Sampaio , F. Parente , A. Hamidani , S. Croft , A. Favalli , Y. Kasri , K. Amari , B. Berkani

{"title":"Investigating empirical and theoretical calculations for intensity ratios of L-Shell X-ray transitions in atoms with 39 ≤ Z ≤ 94","authors":"A. Zidi , A. Kahoul , J.P. Marques , S. Daoudi , J.M. Sampaio , F. Parente , A. Hamidani , S. Croft , A. Favalli , Y. Kasri , K. Amari , B. Berkani","doi":"10.1016/j.elspec.2024.147473","DOIUrl":"10.1016/j.elspec.2024.147473","url":null,"abstract":"<div>The significance of theoretical, experimental, and analytical methods in calculating the intensity ratios of L-shell transitions for diverse elements lies in their widespread applications across various domains, including physical chemistry and medical research. In the present paper, empirical values for intensity ratios were computed through polynomial interpolations using experimental databases within the scope of atomic number 39 ≤ Z ≤ 92 for <math><mfrac><mrow><msub><mrow><mi>I</mi></mrow><mrow><mi>L</mi><mi>β</mi></mrow></msub></mrow><mrow><msub><mrow><mi>I</mi></mrow><mrow><mi>L</mi><mi>α</mi></mrow></msub></mrow></mfrac></math> and <math><mfrac><mrow><msub><mrow><mi>I</mi></mrow><mrow><mi>L</mi><mi>γ</mi></mrow></msub></mrow><mrow><msub><mrow><mi>I</mi></mrow><mrow><mi>L</mi><mi>α</mi></mrow></msub></mrow></mfrac></math>, and extending to the range of 39 ≤ Z ≤ 94 for <math><mfrac><mrow><msub><mrow><mi>I</mi></mrow><mrow><mi>Ll</mi></mrow></msub></mrow><mrow><msub><mrow><mi>I</mi></mrow><mrow><mi>L</mi><mi>α</mi></mrow></msub></mrow></mfrac></math>. Additionally, new theoretical calculations were conducted using the Multiconfiguration Dirac–Fock Method for specific elements. The obtained results were compared with standard theoretical, experimental, and empirical values, showing a reasonable agreement with them.</div>","PeriodicalId":15726,"journal":{"name":"Journal of Electron Spectroscopy and Related Phenomena","volume":"275 ","pages":"Article 147473"},"PeriodicalIF":1.8,"publicationDate":"2024-07-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141775047","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

Intermediate valence behavior of the ternary cerium-nickel-phosphide Ce2Ni12P5 三元铈镍磷化物 Ce2Ni12P5 的中间价行为

IF 1.8 4区物理与天体物理

Journal of Electron Spectroscopy and Related Phenomena Pub Date : 2024-07-19 DOI: 10.1016/j.elspec.2024.147471

Ivan Shcherba , Volodymyr Babizhetskyy , Victor N. Antonov , Henryk Noga , Olha Zhak , Lev Bekenov , Jürgen Köhler , Reinhard K. Kremer , Bogdan Kuzhel , Marcin Jasinski

{"title":"Intermediate valence behavior of the ternary cerium-nickel-phosphide Ce2Ni12P5","authors":"Ivan Shcherba , Volodymyr Babizhetskyy , Victor N. Antonov , Henryk Noga , Olha Zhak , Lev Bekenov , Jürgen Köhler , Reinhard K. Kremer , Bogdan Kuzhel , Marcin Jasinski","doi":"10.1016/j.elspec.2024.147471","DOIUrl":"10.1016/j.elspec.2024.147471","url":null,"abstract":"<div>The crystal structure of the ternary phosphide Ce2Ni12P5 (La2Ni12P5-type structure) has been determined from X-ray powder diffraction data: full profile refinement, monoclinic symmetry, space group P21/m, a = 10.7809(2) Å, b = 3.6869(1) Å, c = 13.1490(3) Å, β = 107.776(4)º, RI = 0.068, RP = 0.044, RwP = 0.060. Ce2Ni12P5 is a ferromagnet with a Curie temperature of 5.8(5) K. A significant deviation from the linearity of the temperature dependence of the electrical resistance for Ce2Ni12P5 has been found. The low-temperature part of the electrical resistance indicates the presence of magnetic interactions in Ce2Ni12P5. The influence of a magnetic field on the electrical resistance of Ce2Ni12P5 has been studied. The X-ray absorption spectrum at the Ce LIII edge and X-ray emission spectra of Ni and P at the K and LIII edges have been studied experimentally and theoretically using DFT+U calculations. The calculations show good agreement with the experimental measurements. The effective valence of Ce in Ce2Ni12P5 determined based on the Ce LIII absorption spectrum is ϑeff ∼ 3.05.</div>","PeriodicalId":15726,"journal":{"name":"Journal of Electron Spectroscopy and Related Phenomena","volume":"275 ","pages":"Article 147471"},"PeriodicalIF":1.8,"publicationDate":"2024-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141736592","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

Cascade energy reemission by the silver atom ionized by 0.01–100 keV photons. Possible application of silver-based radiosensitizing agents in photon beam radiation therapy 被 0.01-100 千伏光子电离的银原子的级联能量再发射。银基放射增敏剂在光子束放射治疗中的可能应用

IF 1.8 4区物理与天体物理

Journal of Electron Spectroscopy and Related Phenomena Pub Date : 2024-07-18 DOI: 10.1016/j.elspec.2024.147472

Alexander P. Chaynikov , Andrei G. Kochur , Aleksey I. Dudenko

{"title":"Cascade energy reemission by the silver atom ionized by 0.01–100 keV photons. Possible application of silver-based radiosensitizing agents in photon beam radiation therapy","authors":"Alexander P. Chaynikov , Andrei G. Kochur , Aleksey I. Dudenko","doi":"10.1016/j.elspec.2024.147472","DOIUrl":"10.1016/j.elspec.2024.147472","url":null,"abstract":"<div>A method of straightforward construction and analysis of the cascade decay trees is applied to study the cascade energy reemission by silver atoms upon photoionization in the incident photon energy range of 0.01–100 keV. Cascade electrons and photons emitted during the cascade relaxation of an inner-shell vacancy carry away a significant part of the energy initially acquired by the silver atom in a photoionization act. The energies redistributed through following channels were calculated as functions of incident photon energy: energy absorbed by the silver atom itself (a), and energies carried away by the cascade electrons (b) and photons (c). Channel (a) is dominant only at small incident photon energies up to the M5 ionization threshold. Channel (b) dominates between M and K thresholds making 57–85 % of the acquired energy. Above the K threshold, the weight of channel (b) is still significant, 24 %, however, dominant is channel (c).</div>","PeriodicalId":15726,"journal":{"name":"Journal of Electron Spectroscopy and Related Phenomena","volume":"275 ","pages":"Article 147472"},"PeriodicalIF":1.8,"publicationDate":"2024-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141775107","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

Gas-phase PES and GW investigation of two widespread herbicides: MCPA and 2,4-dichlorophenoxyacetic acid 对两种广泛使用的除草剂进行气相 PES 和 GW 研究：MCPA 和 2,4-二氯苯氧乙酸

IF 1.8 4区物理与天体物理

Journal of Electron Spectroscopy and Related Phenomena Pub Date : 2024-07-14 DOI: 10.1016/j.elspec.2024.147462

Ivar Kuusik , Mati Kook , Tanel Käämbre , Georgia Michailoudi , Arvo Tõnisoo , Vambola Kisand , Rainer Pärna

引用次数: 0

Laser induced ultrafast Gd 4f spin dynamics at the surface of amorphous CoxGd100-x ferrimagnetic alloys 非晶 CoxGd100-x 铁磁合金表面的激光诱导超快 Gd 4f 自旋动力学

IF 1.8 4区物理与天体物理

Journal of Electron Spectroscopy and Related Phenomena Pub Date : 2024-07-11 DOI: 10.1016/j.elspec.2024.147461

M. Pacé , D. Gupta , T. Ferté , M. Riepp , G. Malinowski , M. Hehn , F. Pressacco , M. Silly , F. Sirotti , C. Boeglin , N. Bergeard

{"title":"Laser induced ultrafast Gd 4f spin dynamics at the surface of amorphous CoxGd100-x ferrimagnetic alloys","authors":"M. Pacé , D. Gupta , T. Ferté , M. Riepp , G. Malinowski , M. Hehn , F. Pressacco , M. Silly , F. Sirotti , C. Boeglin , N. Bergeard","doi":"10.1016/j.elspec.2024.147461","DOIUrl":"10.1016/j.elspec.2024.147461","url":null,"abstract":"<div>We have investigated the laser induced ultrafast dynamics of Gd 4f spins at the surface of CoxGd100-x alloys by means of surface-sensitive and time-resolved dichroic resonant Auger spectroscopy. We have observed that the laser induced quenching of Gd 4f magnetic order at the surface of the CoxGd100-x alloys occur on a much longer time scale than that previously reported in “bulk sensitive” time-resolved experiments. In parallel, we have characterized the static structural and magnetic properties at the surface and in the bulk of these alloys by combining Physical Property Measurement System (PPMS) magnetometry with X-ray Magnetic Circular Dichroism in absorption spectroscopy (XMCD) and X-Ray Photoelectron spectroscopy (XPS). The PPMS and XMCD measurements give information regarding the composition in the bulk of the alloys. The XPS measurements show non-homogeneous composition at the surface of the alloys with a strongly increased Gd content within the first layers compared to the nominal bulk values. Such larger Gd concentration results in a reduced indirect Gd 4f spin-lattice coupling. It explains the “slower” Gd 4f demagnetization we have observed in our surface-sensitive and time-resolved measurements compared to that previously reported by “bulk-sensitive” measurements.</div>","PeriodicalId":15726,"journal":{"name":"Journal of Electron Spectroscopy and Related Phenomena","volume":"275 ","pages":"Article 147461"},"PeriodicalIF":1.8,"publicationDate":"2024-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141775048","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

Scale transformations in model exchange potentials in low energy electron-atom scattering 低能电子原子散射中模型交换势的尺度变换

IF 1.8 4区物理与天体物理

Journal of Electron Spectroscopy and Related Phenomena Pub Date : 2024-07-04 DOI: 10.1016/j.elspec.2024.147460

Felipe Arretche , Eliton P. Seidel , Wagner Tenfen

{"title":"Scale transformations in model exchange potentials in low energy electron-atom scattering","authors":"Felipe Arretche , Eliton P. Seidel , Wagner Tenfen","doi":"10.1016/j.elspec.2024.147460","DOIUrl":"https://doi.org/10.1016/j.elspec.2024.147460","url":null,"abstract":"<div>Model exchange potentials are particularly interesting to account for the indistinguishability between the projectile and target electrons in electron-atom scattering in vacuo and plasma environments. It is well known that their performance is pretty satisfactory in the high energies but also that discrepancies from the results obtained with exact exchange are found toward the zero energy limit. In this article, we examine how well established model exchange potentials based on the free electron gas approach compare to phase shifts calculated considering exchange in exact form. In particular, we show that the Hara and the semiclassical exchange potentials are able to reproduce reference low energy phase shifts through a simple scale transformation, in opposition to the previous approaches where energy dependent corrections to the local momentum were adopted. We provide the scale factors and phase shifts for electron scattering by He, Ne and Ar atoms for <math><mrow><mi>k</mi><mo><</mo></mrow></math> 1,0 a<math><msubsup><mrow></mrow><mrow><mn>0</mn></mrow><mrow><mo>−</mo><mn>1</mn></mrow></msubsup></math>. Such scaling factors can be determined reproducing the scattering length and the number of s-wave bound states from exact exchange calculations. We also show that the scaling procedure works for electronic densities that present the physically correct asymptotic behavior. The present results are important to the research field, since they form the basis to construction of scattering models based on optical potential approaches.</div>","PeriodicalId":15726,"journal":{"name":"Journal of Electron Spectroscopy and Related Phenomena","volume":"274 ","pages":"Article 147460"},"PeriodicalIF":1.8,"publicationDate":"2024-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141592970","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

Further study of exchange-correlation functionals for the calculations of outer-valence ionization potentials of gas-phase molecules 用于气相分子外价电离势计算的交换相关函数的进一步研究

IF 1.8 4区物理与天体物理

Journal of Electron Spectroscopy and Related Phenomena Pub Date : 2024-06-24 DOI: 10.1016/j.elspec.2024.147459

Maximiliano Segala , Delano P. Chong

引用次数: 0

Reassessment of the Shirley and model functions within X-ray photoelectron spectroscopy analysis utilizing comprehensive search methodologies of Bayesian inference 利用贝叶斯推理的综合搜索方法重新评估 X 射线光电子能谱分析中的雪莉和模型功能

IF 1.9 4区物理与天体物理

Journal of Electron Spectroscopy and Related Phenomena Pub Date : 2024-06-08 DOI: 10.1016/j.elspec.2024.147450

Genki Suzuki , Eiji Ikenaga , Satoshi Ogawa , Yuichi Yokoyama , Masaichiro Mizumaki

{"title":"Reassessment of the Shirley and model functions within X-ray photoelectron spectroscopy analysis utilizing comprehensive search methodologies of Bayesian inference","authors":"Genki Suzuki , Eiji Ikenaga , Satoshi Ogawa , Yuichi Yokoyama , Masaichiro Mizumaki","doi":"10.1016/j.elspec.2024.147450","DOIUrl":"https://doi.org/10.1016/j.elspec.2024.147450","url":null,"abstract":"<div>The analysis of X-ray photoelectron spectra often faces challenges due to the lack of standardization in modeling approaches, background subtraction methods, and computational algorithms within the field of computer science. The interpretation of XPS data significantly relies on the unique expertise and judgment of individual researchers. Therefore, the objective of this study is to highlight the difficulties associated with analytical methods that depend heavily on the discretion of individual scientists, to elucidate the prevailing models and background subtraction techniques, and to suggest improvements to these methodologies. This endeavor aims to enhance the reliability and reproducibility of XPS analysis, thereby contributing to the advancement of research in this area. By utilizing the information criterion as part of a thorough search methodology in Bayesian inference, we show that our sophisticated analytical techniques significantly outperform others in the analysis of actual X-ray photoelectron spectroscopy (XPS) spectra. This improvement is evidenced through enhanced accuracy and reliability in spectral interpretation, underscoring the efficacy of our methods in practical applications of XPS.</div>","PeriodicalId":15726,"journal":{"name":"Journal of Electron Spectroscopy and Related Phenomena","volume":"274 ","pages":"Article 147450"},"PeriodicalIF":1.9,"publicationDate":"2024-06-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0368204824000331/pdfft?md5=ec2601473e7e650e86fb2cb4e70e4418&pid=1-s2.0-S0368204824000331-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141292010","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Mn 2p and O 1s X-ray absorption spectroscopy of manganese oxides 锰氧化物的 Mn 2p 和 O 1s X 射线吸收光谱学

IF 1.9 4区物理与天体物理

Journal of Electron Spectroscopy and Related Phenomena Pub Date : 2024-06-08 DOI: 10.1016/j.elspec.2024.147452

Haytham Eraky , James J. Dynes , Adam P. Hitchcock

引用次数: 0