Pub Date : 2025-09-26DOI: 10.1016/j.elspec.2025.147571
Meenu Pandey, Bobby Antony
In this work, we have computed electron impact scattering cross sections for the organometallic complexes and that are used as precursors in the Focused Electron Beam Induced Deposition (FEBID) technique. We have used a Spherical Complex Optical Potential (SCOP) formalism to calculate the total, integral elastic, inelastic, and momentum transfer cross sections and employed Complex Scattering Potential-ionization contribution (CSP-ic) formalism to calculate the ionization cross section for molecular targets. Calculations are performed above the ionization potential of targets in the energy range 12 – 5000 eV. We compare our results with the available data in the literature for , and due to the scarcity of available data for comparison and evaluation of our results, we use the reported values for in our previous work as a qualitative reference. These findings provide critical cross section data for modeling the deposition of metal carbonyl precursors in the FEBID technique.
{"title":"Theoretical investigation of electron impact scattering cross sections of metal carbonyl precursors for FEBID applications","authors":"Meenu Pandey, Bobby Antony","doi":"10.1016/j.elspec.2025.147571","DOIUrl":"10.1016/j.elspec.2025.147571","url":null,"abstract":"<div><div>In this work, we have computed electron impact scattering cross sections for the organometallic complexes <span><math><msub><mrow><mi>Ni(CO)</mi></mrow><mrow><mn>4</mn></mrow></msub></math></span> and <span><math><msub><mrow><mi>Fe(CO)</mi></mrow><mrow><mn>5</mn></mrow></msub></math></span> that are used as precursors in the Focused Electron Beam Induced Deposition (FEBID) technique. We have used a Spherical Complex Optical Potential (SCOP) formalism to calculate the total, integral elastic, inelastic, and momentum transfer cross sections and employed Complex Scattering Potential-ionization contribution (CSP-ic) formalism to calculate the ionization cross section for molecular targets. Calculations are performed above the ionization potential of targets in the energy range 12 – 5000 eV. We compare our results with the available data in the literature for <span><math><msub><mrow><mi>Ni(CO)</mi></mrow><mrow><mn>4</mn></mrow></msub></math></span>, and due to the scarcity of available data for comparison and evaluation of our results, we use the reported values for <span><math><msub><mrow><mi>W(CO)</mi></mrow><mrow><mn>6</mn></mrow></msub></math></span> in our previous work as a qualitative reference. These findings provide critical cross section data for modeling the deposition of metal carbonyl precursors in the FEBID technique.</div></div>","PeriodicalId":15726,"journal":{"name":"Journal of Electron Spectroscopy and Related Phenomena","volume":"283 ","pages":"Article 147571"},"PeriodicalIF":1.5,"publicationDate":"2025-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145134757","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}
Pub Date : 2025-09-23DOI: 10.1016/j.elspec.2025.147573
T. Tang , K. Goto
Surface partial intensities have been extracted from reflection electron energy loss spectroscopy spectra based on extended Landau formula with different models of differential surface exciting probability. The obtained results for Al and Si at electron energies of 100–1000 eV show that the partial intensity distribution does not follow Poisson expression: the first and second surface partial intensities play dominant role in surface excitation and the higher surface partial intensities are negligible. Analysis indicates that the multiple inelastic scattering containing single surface excitation and multiple bulk excitations have important contribution to REELS spectra. The dependence of the surface partial intensities on the incident energy and emission angle is also investigated.
{"title":"Calculation of surface partial intensity distribution with REELS spectra","authors":"T. Tang , K. Goto","doi":"10.1016/j.elspec.2025.147573","DOIUrl":"10.1016/j.elspec.2025.147573","url":null,"abstract":"<div><div>Surface partial intensities have been extracted from reflection electron energy loss spectroscopy spectra based on extended Landau formula with different models of differential surface exciting probability. The obtained results for Al and Si at electron energies of 100–1000 eV show that the partial intensity distribution does not follow Poisson expression: the first and second surface partial intensities play dominant role in surface excitation and the higher surface partial intensities are negligible. Analysis indicates that the multiple inelastic scattering containing single surface excitation and multiple bulk excitations have important contribution to REELS spectra. The dependence of the surface partial intensities on the incident energy and emission angle is also investigated.</div></div>","PeriodicalId":15726,"journal":{"name":"Journal of Electron Spectroscopy and Related Phenomena","volume":"283 ","pages":"Article 147573"},"PeriodicalIF":1.5,"publicationDate":"2025-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145157139","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}
Pub Date : 2025-09-23DOI: 10.1016/j.elspec.2025.147572
Neha, Rakesh Choubisa
<div><div>Twisted electron-impact single ionization ((e,2e) process) of water molecule is theoretically studied in the presence of an external laser field. Calculations have been performed in the framework of the first Born approximation in coplanar asymmetric geometry. The wave functions for the fast (incident/scattered) electron and the ejected electron are described by the Volkov and Coulomb–Volkov wave functions respectively which take into account the interaction of the laser field with incident/scattered and ejected electrons respectively. We calculate the triple differential cross section (TDCS) corresponding to the laser-assisted (e,2e) process for different orientations of the linearly polarized laser field. We describe the molecular state of H<sub>2</sub>O by the linear combination of atomic orbitals (self-consistent field LCAO method). The angular profile of the TDCS for plane wave electrons is strongly modified by the laser field compared to that of without laser field. However, for the twisted electrons with laser field the angular distribution is slightly changed from those of without laser field. We study the angular distribution of TDCS for laser field polarization parallel to the incident momentum (<span><math><msub><mrow><mi>ɛ</mi></mrow><mrow><mn>0</mn></mrow></msub></math></span> <span><math><mo>∥</mo></math></span> <span><math><msub><mrow><mi>k</mi></mrow><mrow><mi>i</mi></mrow></msub></math></span>), parallel to momentum transfer (<span><math><msub><mrow><mi>ɛ</mi></mrow><mrow><mn>0</mn></mrow></msub></math></span> <span><math><mo>∥</mo></math></span> <span><math><mi>Δ</mi></math></span>) and perpendicular to the momentum transfer (<span><math><msub><mrow><mi>ɛ</mi></mrow><mrow><mn>0</mn></mrow></msub></math></span> <span><math><mo>⊥</mo></math></span> <span><math><mi>Δ</mi></math></span>) and we observe that the <span><math><msub><mrow><mi>ɛ</mi></mrow><mrow><mn>0</mn></mrow></msub></math></span> <span><math><mo>∥</mo></math></span> <span><math><mi>Δ</mi></math></span> has the highest magnitude of TDCS. For the orientations <span><math><msub><mrow><mi>ɛ</mi></mrow><mrow><mn>0</mn></mrow></msub></math></span> <span><math><mo>∥</mo></math></span> <span><math><msub><mrow><mi>k</mi></mrow><mrow><mi>i</mi></mrow></msub></math></span> and <span><math><msub><mrow><mi>ɛ</mi></mrow><mrow><mn>0</mn></mrow></msub></math></span> <span><math><mo>⊥</mo></math></span> <span><math><mi>Δ</mi></math></span>, the laser-assisted plane wave studies shows oscillatory nature of TDCS but for the orientation <span><math><msub><mrow><mi>ɛ</mi></mrow><mrow><mn>0</mn></mrow></msub></math></span> <span><math><mo>∥</mo></math></span> <span><math><mi>Δ</mi></math></span> we observe only recoil peak for <span><math><mrow><mi>p</mi><mo>−</mo><mi>l</mi><mi>i</mi><mi>k</mi><mi>e</mi></mrow></math></span> character orbitals and dual peak, a recoil and binary peaks for the <span><math><mrow><mi>s</mi><mo>−</mo><mi>l</mi><mi>i</mi><mi>k</mi><mi>e</mi></mrow></m
{"title":"Triple differential cross-section for Laser-assisted (e,2e) process on H2O molecule by Plane and Twisted electrons Impact","authors":"Neha, Rakesh Choubisa","doi":"10.1016/j.elspec.2025.147572","DOIUrl":"10.1016/j.elspec.2025.147572","url":null,"abstract":"<div><div>Twisted electron-impact single ionization ((e,2e) process) of water molecule is theoretically studied in the presence of an external laser field. Calculations have been performed in the framework of the first Born approximation in coplanar asymmetric geometry. The wave functions for the fast (incident/scattered) electron and the ejected electron are described by the Volkov and Coulomb–Volkov wave functions respectively which take into account the interaction of the laser field with incident/scattered and ejected electrons respectively. We calculate the triple differential cross section (TDCS) corresponding to the laser-assisted (e,2e) process for different orientations of the linearly polarized laser field. We describe the molecular state of H<sub>2</sub>O by the linear combination of atomic orbitals (self-consistent field LCAO method). The angular profile of the TDCS for plane wave electrons is strongly modified by the laser field compared to that of without laser field. However, for the twisted electrons with laser field the angular distribution is slightly changed from those of without laser field. We study the angular distribution of TDCS for laser field polarization parallel to the incident momentum (<span><math><msub><mrow><mi>ɛ</mi></mrow><mrow><mn>0</mn></mrow></msub></math></span> <span><math><mo>∥</mo></math></span> <span><math><msub><mrow><mi>k</mi></mrow><mrow><mi>i</mi></mrow></msub></math></span>), parallel to momentum transfer (<span><math><msub><mrow><mi>ɛ</mi></mrow><mrow><mn>0</mn></mrow></msub></math></span> <span><math><mo>∥</mo></math></span> <span><math><mi>Δ</mi></math></span>) and perpendicular to the momentum transfer (<span><math><msub><mrow><mi>ɛ</mi></mrow><mrow><mn>0</mn></mrow></msub></math></span> <span><math><mo>⊥</mo></math></span> <span><math><mi>Δ</mi></math></span>) and we observe that the <span><math><msub><mrow><mi>ɛ</mi></mrow><mrow><mn>0</mn></mrow></msub></math></span> <span><math><mo>∥</mo></math></span> <span><math><mi>Δ</mi></math></span> has the highest magnitude of TDCS. For the orientations <span><math><msub><mrow><mi>ɛ</mi></mrow><mrow><mn>0</mn></mrow></msub></math></span> <span><math><mo>∥</mo></math></span> <span><math><msub><mrow><mi>k</mi></mrow><mrow><mi>i</mi></mrow></msub></math></span> and <span><math><msub><mrow><mi>ɛ</mi></mrow><mrow><mn>0</mn></mrow></msub></math></span> <span><math><mo>⊥</mo></math></span> <span><math><mi>Δ</mi></math></span>, the laser-assisted plane wave studies shows oscillatory nature of TDCS but for the orientation <span><math><msub><mrow><mi>ɛ</mi></mrow><mrow><mn>0</mn></mrow></msub></math></span> <span><math><mo>∥</mo></math></span> <span><math><mi>Δ</mi></math></span> we observe only recoil peak for <span><math><mrow><mi>p</mi><mo>−</mo><mi>l</mi><mi>i</mi><mi>k</mi><mi>e</mi></mrow></math></span> character orbitals and dual peak, a recoil and binary peaks for the <span><math><mrow><mi>s</mi><mo>−</mo><mi>l</mi><mi>i</mi><mi>k</mi><mi>e</mi></mrow></m","PeriodicalId":15726,"journal":{"name":"Journal of Electron Spectroscopy and Related Phenomena","volume":"283 ","pages":"Article 147572"},"PeriodicalIF":1.5,"publicationDate":"2025-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145157141","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}
The atomic and electronic structure of carbonate-containing calcium and lead apatites were studied by experimental and computational methods. It was found, that under all types of doping of stoichiometric calcium (lead) apatite matrix with carbonate ions, a increase in electron density on calcium and phosphorus atoms observed suggests a rise in the ionic character within the overall chemical bonding balance. The density of states analysis shows that the isostructural doping of calcium and lead apatite matrix by carbonate ions does not violate the general trends in the formation of the valence band. The structure of the occupied part of the valence band of the studied compounds, as in the case of stoichiometric samples, has a pronounced band character with different width of individual subbands. In both Ca- and Pb- apatites, A-type substitution causes the unit cell to expand, mostly along a, b axis due to necessity of fitting the larger CO3- into the central channel, which also causes C–O bond lengths contraction.
{"title":"Electronic structure of carbonate-containing lead and calcium apatites","authors":"I.V. Sukhenko , V.L. Karbivskyy , N.A. Kurgan , S.A. Nedilko , O.V. Ivanov , L.P. Kliuienko","doi":"10.1016/j.elspec.2025.147563","DOIUrl":"10.1016/j.elspec.2025.147563","url":null,"abstract":"<div><div>The atomic and electronic structure of carbonate-containing calcium and lead apatites were studied by experimental and computational methods. It was found, that under all types of doping of stoichiometric calcium (lead) apatite matrix with carbonate ions, a increase in electron density on calcium and phosphorus atoms observed suggests a rise in the ionic character within the overall chemical bonding balance. The density of states analysis shows that the isostructural doping of calcium and lead apatite matrix by carbonate ions does not violate the general trends in the formation of the valence band. The structure of the occupied part of the valence band of the studied compounds, as in the case of stoichiometric samples, has a pronounced band character with different width of individual subbands. In both Ca- and Pb- apatites, A-type substitution causes the unit cell to expand, mostly along <em>a</em>, <em>b</em> axis due to necessity of fitting the larger CO<sup>3-</sup> into the central channel, which also causes C–O bond lengths contraction.</div></div>","PeriodicalId":15726,"journal":{"name":"Journal of Electron Spectroscopy and Related Phenomena","volume":"282 ","pages":"Article 147563"},"PeriodicalIF":1.5,"publicationDate":"2025-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145004127","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}
Pub Date : 2025-08-18DOI: 10.1016/j.elspec.2025.147561
M.F. Gharaibeh , K. Tőkési
We present theoretical studies of dielectronic recombination for the ground state three-electron system of Lithium-like Ni25+(1s2 2s1/2). The Flexible Atomic Code, using the jj coupling scheme, was employed in our calculations. We calculated the energies of the resonances and their resonance strengths during the excitation from the 2 s to the 2p state, with incident electron capture occurring in shells between n = 13 and n = 19. We found excellent agreement between our results and the experimental data regarding the energy positions of the resonances. Additionally, we observed agreement in the general trend for the resonance strengths; however, this agreement is less pronounced than that for the energy positions, particularly for the 2p3/2 state at some resonances.
{"title":"Calculation of dielectronic recombination of lithium-like Ni25 +","authors":"M.F. Gharaibeh , K. Tőkési","doi":"10.1016/j.elspec.2025.147561","DOIUrl":"10.1016/j.elspec.2025.147561","url":null,"abstract":"<div><div>We present theoretical studies of dielectronic recombination for the ground state three-electron system of Lithium-like Ni<sup>25+</sup>(1<em>s</em><sup>2</sup> 2<em>s</em><sub>1/2</sub>). The Flexible Atomic Code, using the <em>jj</em> coupling scheme, was employed in our calculations. We calculated the energies of the resonances and their resonance strengths during the excitation from the <em>2 s</em> to the <em>2p</em> state, with incident electron capture occurring in shells between n = 13 and n = 19. We found excellent agreement between our results and the experimental data regarding the energy positions of the resonances. Additionally, we observed agreement in the general trend for the resonance strengths; however, this agreement is less pronounced than that for the energy positions, particularly for the 2p<sub>3/2</sub> state at some resonances.</div></div>","PeriodicalId":15726,"journal":{"name":"Journal of Electron Spectroscopy and Related Phenomena","volume":"282 ","pages":"Article 147561"},"PeriodicalIF":1.5,"publicationDate":"2025-08-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144889239","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}
Pub Date : 2025-08-12DOI: 10.1016/j.elspec.2025.147562
Xin Li, Li Wei, Shuang Men
In this study, five sulfonium ionic liquids are analysed by X-ray photoelectron spectroscopy. The surface purity and C 1s fitting model are discussed in details. The influence of alkyl chain length on the aliphatic carbon binding energy is illustrated by comparing ethyl- and butyl-based cations. The impact of the cation on the electronic environment of the anion-based components is demonstrated. It is found that the cation-anion interactions can be significantly affected by the structure of the cation.
{"title":"X-ray photoelectron spectroscopy of sulfonium ionic liquids: Probing the impact of alkyl substituent on the electronic environment of the anion","authors":"Xin Li, Li Wei, Shuang Men","doi":"10.1016/j.elspec.2025.147562","DOIUrl":"10.1016/j.elspec.2025.147562","url":null,"abstract":"<div><div>In this study, five sulfonium ionic liquids are analysed by X-ray photoelectron spectroscopy. The surface purity and C 1s fitting model are discussed in details. The influence of alkyl chain length on the aliphatic carbon binding energy is illustrated by comparing ethyl- and butyl-based cations. The impact of the cation on the electronic environment of the anion-based components is demonstrated. It is found that the cation-anion interactions can be significantly affected by the structure of the cation.</div></div>","PeriodicalId":15726,"journal":{"name":"Journal of Electron Spectroscopy and Related Phenomena","volume":"282 ","pages":"Article 147562"},"PeriodicalIF":1.5,"publicationDate":"2025-08-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144813798","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}
Pub Date : 2025-07-09DOI: 10.1016/j.elspec.2025.147553
Igor Novak
The vertical, valence ionization energies for several bicyclic alkenes containing geometrically distorted π CC bonds in bridgehead positions have been calculated (as free molecules) using high-level ab initio coupled-cluster method: IP-EOM-CCSD. We have selected bridgehead alkenes (BA) which have been either accessed as intermediates (e.g. in trapping reactions) or have been synthesized experimentally and classified as hyper-stable (based on reactivity deduced from theoretical calculations). We investigated changes in various parameters within isomeric pairs: one molecule being bridged the other non-bridged. The variations in vertical ionization energies were related to other electronic and structural parameters of BAs. The π-bond positioned at the junction of two rings (bridge) leads to its twisting and pyramidalization. This is reflected in the following changes in BA: decrease of the 1st ionization energy, reduction of HOMO-LUMO and singlet-triplet gaps, increased polarization of CC bond and increased standard enthalpy of formation of bridged vs. non-bridged isomer.
{"title":"Photoionization and electronic structure of bridgehead alkenes","authors":"Igor Novak","doi":"10.1016/j.elspec.2025.147553","DOIUrl":"10.1016/j.elspec.2025.147553","url":null,"abstract":"<div><div>The vertical, valence ionization energies for several bicyclic alkenes containing geometrically distorted π C<img>C bonds in bridgehead positions have been calculated (as free molecules) using high-level ab initio coupled-cluster method: IP-EOM-CCSD. We have selected bridgehead alkenes (BA) which have been either accessed as intermediates (e.g. in trapping reactions) or have been synthesized experimentally and classified as hyper-stable (based on reactivity deduced from theoretical calculations). We investigated changes in various parameters within isomeric pairs: one molecule being bridged the other non-bridged. The variations in vertical ionization energies were related to other electronic and structural parameters of BAs. The π-bond positioned at the junction of two rings (bridge) leads to its twisting and pyramidalization. This is reflected in the following changes in BA: decrease of the 1st ionization energy, reduction of HOMO-LUMO and singlet-triplet gaps, increased polarization of C<img>C bond and increased standard enthalpy of formation of bridged vs. non-bridged isomer.</div></div>","PeriodicalId":15726,"journal":{"name":"Journal of Electron Spectroscopy and Related Phenomena","volume":"281 ","pages":"Article 147553"},"PeriodicalIF":1.8,"publicationDate":"2025-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144588303","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}
Pub Date : 2025-07-08DOI: 10.1016/j.elspec.2025.147554
A.P. Chaynikov, A.G. Kochur, A.I. Dudenko
Cascade decays of single vacancies in K to N shells of the Pt atom are studied by construction and analysis of the decay trees. Energies of cascade-produced multivacancy configurations and decay branching ratios are calculated in Pauli–Fock approximation. The role of multiplet splitting and multiplet overlapping in calculating mean transition energies and ionic configurations branching ratios is discussed. Final cascade ion yields, spectra of cascade electrons and photons, numbers of emitted electrons and photons, and energies carried away by them are calculated. Energy acquired by the Pt atom upon photoionization is split into the following channels: a) energy stored in final cascade ions, b) energy reemitted by cascade electrons, and c) energy reemitted by cascade photons. Relative weights of these energy redistribution channels are studied. A potential of using Pt-containing agents as radiosensitizers in photon activation therapy and chemoradiation therapy of malignant tumors is discussed. Cascade-produced electrons are shown to be the main local dose depositors.
{"title":"Cascade relaxation of single K, L, M and N vacancies in atomic platinum. Ion yields and energy reemission","authors":"A.P. Chaynikov, A.G. Kochur, A.I. Dudenko","doi":"10.1016/j.elspec.2025.147554","DOIUrl":"10.1016/j.elspec.2025.147554","url":null,"abstract":"<div><div>Cascade decays of single vacancies in <em>K</em> to <em>N</em> shells of the Pt atom are studied by construction and analysis of the decay trees. Energies of cascade-produced multivacancy configurations and decay branching ratios are calculated in Pauli–Fock approximation. The role of multiplet splitting and multiplet overlapping in calculating mean transition energies and ionic configurations branching ratios is discussed. Final cascade ion yields, spectra of cascade electrons and photons, numbers of emitted electrons and photons, and energies carried away by them are calculated. Energy acquired by the Pt atom upon photoionization is split into the following channels: a) energy stored in final cascade ions, b) energy reemitted by cascade electrons, and c) energy reemitted by cascade photons. Relative weights of these energy redistribution channels are studied. A potential of using Pt-containing agents as radiosensitizers in photon activation therapy and chemoradiation therapy of malignant tumors is discussed. Cascade-produced electrons are shown to be the main local dose depositors.</div></div>","PeriodicalId":15726,"journal":{"name":"Journal of Electron Spectroscopy and Related Phenomena","volume":"281 ","pages":"Article 147554"},"PeriodicalIF":1.8,"publicationDate":"2025-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144606129","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}
Pub Date : 2025-06-21DOI: 10.1016/j.elspec.2025.147552
Munendra Jain , Ghanshyam Purohit , Wolfgang Quint
The high-energy electron impact ionization of atoms is a significant phenomenon in understanding atomic behaviour, and it can provide valuable information related to electron-atom scattering. In the case of the nuclear fusion process, electron and atom scattering done at high energy can provide precious information. In the present study, we report triple differential cross-sections (TDCS) and spin asymmetry for tungsten atoms’ electron impact K shell ionization at relativistic energies regime. The relativistic distorted wave Born approximation (rDWBA) formalism has been used with the coplanar asymmetric geometrical arrangement to calculate TDCS and spin asymmetry. The TDCS and spin asymmetry have been calculated for the high incident energy from 250 keV to 700 keV, for various scattering angles , , and to create consistent with findings of (e, 2e) experiments of Schule and Nakel.
{"title":"Unravelling Tungsten atom ionization at high energies: A relativistic electron impact study","authors":"Munendra Jain , Ghanshyam Purohit , Wolfgang Quint","doi":"10.1016/j.elspec.2025.147552","DOIUrl":"10.1016/j.elspec.2025.147552","url":null,"abstract":"<div><div>The high-energy electron impact ionization of atoms is a significant phenomenon in understanding atomic behaviour, and it can provide valuable information related to electron-atom scattering. In the case of the nuclear fusion process, electron and atom scattering done at high energy can provide precious information. In the present study, we report triple differential cross-sections (TDCS) and spin asymmetry for tungsten atoms’ electron impact K shell ionization at relativistic energies regime. The relativistic distorted wave Born approximation (rDWBA) formalism has been used with the coplanar asymmetric geometrical arrangement to calculate TDCS and spin asymmetry. The TDCS and spin asymmetry have been calculated for the high incident energy from 250 keV to 700 keV, for various scattering angles <span><math><msup><mrow><mn>2</mn></mrow><mrow><mi>o</mi></mrow></msup></math></span>, <span><math><msup><mrow><mn>5</mn></mrow><mrow><mi>o</mi></mrow></msup></math></span>, <span><math><msup><mrow><mn>8</mn></mrow><mrow><mi>o</mi></mrow></msup></math></span> and <span><math><mrow><mn>1</mn><msup><mrow><mn>4</mn></mrow><mrow><mi>o</mi></mrow></msup></mrow></math></span> to create consistent with findings of (e, 2e) experiments of Schule and Nakel.</div></div>","PeriodicalId":15726,"journal":{"name":"Journal of Electron Spectroscopy and Related Phenomena","volume":"281 ","pages":"Article 147552"},"PeriodicalIF":1.8,"publicationDate":"2025-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144330862","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}
Pub Date : 2025-06-09DOI: 10.1016/j.elspec.2025.147545
Sana Mekhalfa , Salim Houamer , Abdelaziz Mansouri , Imene Khiat , Ayoub Tamin , Claude Dal Cappello , Paul-Antoine Hervieux
Calculations of the triple differential cross section (TDCS) for positron and electron impact ionization have been performed for the inner as well as the outer orbitals of nitrogen molecule, within a model developed for molecular targets and called M3CWZ. In this model, a full Coulomb wave scheme with variable charges to describe the continuum particles is used, taking into account the post collision interaction (PCI). Experiments performed in asymmetric geometries at large and lower recoil momentum have been investigated for the outer (, and) as well as the inner orbitals, comparison is then made between experimental data and theory. At intermediate impact energies (up to 700 eV), it is found that the M3CWZ model is able to predict the general trends of the TDCS for the outer orbitals at large recoil momentum when the residual ion plays substantial role, better than other sophisticated models. For the inner orbital the large intensity of the TDCS observed in the recoil region is not correctly reproduced by the present calculations. At lower 250 eV impact energy, a moderate agreement with the data is achieved for outer orbital.
{"title":"Theoretical investigation of the triple differential cross section in the nitrogen molecule ionization by electron and positron impact","authors":"Sana Mekhalfa , Salim Houamer , Abdelaziz Mansouri , Imene Khiat , Ayoub Tamin , Claude Dal Cappello , Paul-Antoine Hervieux","doi":"10.1016/j.elspec.2025.147545","DOIUrl":"10.1016/j.elspec.2025.147545","url":null,"abstract":"<div><div>Calculations of the triple differential cross section (TDCS) for positron and electron impact ionization have been performed for the inner as well as the outer orbitals of nitrogen molecule, within a model developed for molecular targets and called M3CWZ. In this model, a full Coulomb wave scheme with variable charges to describe the continuum particles is used, taking into account the post collision interaction (PCI). Experiments performed in asymmetric geometries at large and lower recoil momentum have been investigated for the outer (<span><math><mrow><mn>2</mn><msub><mrow><mi>σ</mi></mrow><mrow><mi>u</mi></mrow></msub></mrow></math></span>, <span><math><mrow><mn>1</mn><msub><mrow><mi>π</mi></mrow><mrow><mi>u</mi></mrow></msub></mrow></math></span>and<span><math><mrow><mn>3</mn><msub><mrow><mi>σ</mi></mrow><mrow><mi>g</mi></mrow></msub></mrow></math></span>) as well as the inner <span><math><mrow><mn>2</mn><msub><mrow><mi>σ</mi></mrow><mrow><mi>g</mi></mrow></msub></mrow></math></span> orbitals, comparison is then made between experimental data and theory. At intermediate impact energies (up to 700 eV), it is found that the M3CWZ model is able to predict the general trends of the TDCS for the outer orbitals at large recoil momentum when the residual ion plays substantial role, better than other sophisticated models. For the inner <span><math><mrow><mn>2</mn><msub><mrow><mi>σ</mi></mrow><mrow><mi>g</mi></mrow></msub></mrow></math></span> orbital the large intensity of the TDCS observed in the recoil region is not correctly reproduced by the present calculations. At lower 250 eV impact energy, a moderate agreement with the data is achieved for outer <span><math><mrow><mn>3</mn><msub><mrow><mi>σ</mi></mrow><mrow><mi>g</mi></mrow></msub></mrow></math></span>orbital.</div></div>","PeriodicalId":15726,"journal":{"name":"Journal of Electron Spectroscopy and Related Phenomena","volume":"281 ","pages":"Article 147545"},"PeriodicalIF":1.8,"publicationDate":"2025-06-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144242787","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}
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