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Hiroshi Tanaka Department of Physics Sophia University, Tokyo, JAPAN

Summary of Electron Collision Data of C-H &C-F Compound Molecules for Plasma Modeling Review of Our Research Proposal. Hiroshi Tanaka Department of Physics Sophia University, Tokyo, JAPAN.

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Hiroshi Tanaka Department of Physics Sophia University, Tokyo, JAPAN

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  1. Summary of Electron Collision Data of C-H &C-F Compound Molecules for Plasma ModelingReview of Our Research Proposal Hiroshi Tanaka Department of Physics Sophia University, Tokyo, JAPAN 3rd Research Co-ordination Meeting of the IAEA’s Co-ordinated Research Program on” Atomic and Molecular Data for Plasma Modeling” IAEA, Vienna, Austria 17-19 Nov. 2008

  2. TITLES OF RESEARCH TOPIC presented under the CRP, 2005-2008 2005-2006 Electron Collision Data of C-H Compound Molecules for Plasma Modeling 2007 Electron Collision Data of C-H & C-F Compound Molecules for Plasma Modeling 2008 Summary of Electron Collision Data of C-H &C-F Compound Molecules for Plasma ModelingReview of Our Research Proposal

  3. Summary of WORK PLANproposed during the CRP Year 1 (2005): Evaluation and analysis of related data available in literature but scattered in different places all over the world within the framework of IAEA International Bulletin on Atomic and Molecular Data for Fusion. Year 2 (2007): Compilation and addition of new data from our group as well as from other research groups to the database. In the same process, data from our group will be systematically compiled for the more than 30 molecules studied so far for the collision processes: elastic, vibrational and electronic excitations, and total cross sections. Year 3 (2008): Proposal of new directions for producing missing but necessary experimental and theoretical data for these processes related to fusion.

  4. Gaseous Electronics Reverse Kinematics Particle Accelerator Technology High Energy Astrophysics Cosmic X-ray Sources -3 -2 -1 0 1 2 3 4 5 6 7 8 9 10 11 12 13 Illustration of a variety of applications wherein cross-section data involving atomic & molecular physical processes are important. Gaseous Nebulae Solar Corona Stellar Photospheres Stellar Atoms. Stars Intersteller Medium Planetary Atmospheres Ionosphere, Excimer Laser X-ray Laser Combus. MHD Gen. Lamps Arc Heaters Lepton Pairs & Electron Capture Fission Fragments Controlled Fusion Chemistry Nuclear Explosions

  5. ITER (International Thermonuclear Reactor) Electron Collision Cross Section Data Needs for Carbon impurities (H/D-C molecules) produced by physical and chemical sputtering CH4, C2H2, C2H4, C2H6, C3 H8 Still difficult to measure the cross section of even C2, CH, CH2, CH3, ……. Vibrationally (Hot) excited Molecules H2, D2

  6. A. Electron Collision Cross Section Database for Polyatomic Molecules B. Developing Electron Collision Cross Sections forPolyatomic-Molecules B.1 Electron Interactions with Excited Molecules B.2. Recent Developments in Electron Collision Experiments

  7. A. SUMMARY of ACTIVITIES for DATABASE (2005- 2008)Data Compilations in Printed Form 1. Elastic Differential Cross Sections for Electron Collisions with Polyatomic Molecules (NIFS report, 2008) 2. Cross Sections of Electron-induced Resonant Vibrational Excitations in Polyatomic Molecules (NIFS report, submitted 2008) 3. Electron-impact Excitation Cross Sections of Electronic States in Polyatomic Molecules (NIFS report, to be submitted, 2009) Target Molecules: H-C Molecules produced from the internal wall materials of fusion chambers H-C & C-F Molecules for plasma processing Our Database compiled is restricted only to our own elastic DCS

  8. IAEA & NIFS Report (2007) Elastic Differential Cross Sections for Electron Collisions with Polyatomic Molecules M. Hoshino1, H. Kato1, C. Makochekanwa1, 2, S.J. Buckman2, M. J. Brunger3, H. Cho4, M. Kimura5, D. Kato6, I. Murakami6, T. Kato6, and H. Tanaka1 1Department of Physics, Sophia University, Tokyo 102-8554, Japan 2Center for Antimatter-Matter Studies, Australian National University, Canberra ACT 0200, Australia 3Center for Antimatter-Matter Studies, Flinders University, Adelaide SA 5001, Australia 4Department of Physics, Chungnam National University, Daejeon 305-764, Korea 5Graduate School of Sciences, Kyushu University, Fukuoka 812-8581, Japan 6National Institute of Fusion Science, Toki 509-5292, Japan 1 Introduction 2 Definition of Cross Sections 3 Experimental Techniques for Precision Measurement of Elastic DCS 4 Benchmark Cross Section for Elastic DCS A. Fusion Plasma-Related Gases B. Processing Plasma-Related Gases C. Environmental Issues-Related Gases 5 Concluding Remarks This work is supported partially by the IAEA, CUP, MEXT, and ARC

  9. List of Molecules tabulated in this report A. Fusion Plasma-Related Gases CH4, C2H6, C3H8, C2H4, C3H6, isomers-C3H4 B. Processing Plasma-Related Gases CF4, C2F6, C3F8, C3F6, cyclo-C4F8, C2F4, C6F6, CH3F, CH2F2, CHF3, CF3I NF3, SF6 SiH4, Si2H6, GeH4. C. Environmental Issues -Related Gases CF3Cl, CF3Br H2O, CO2, N2O

  10. IAEA & NIFS Report(2008) Cross Sections of Electron-induced Resonant Vibrational Excitations in Polyatomic Molecules H. Kato1, M. Hoshino1, H. Kawahara1, C. Makochekanwa1,2, S. J.Buckman2, M.J. Brunger3, H. Cho4, M. Kimura5, D. Kato6, I. Murakami6, T. Kato6 and H. Tanaka1. 1Department of Physics, Sophia University, Tokyo 102-8554, Japan. 2Centre for Antimatter-Matter Studies, Australian National University, Canberra ACT 0200, Australia. 3Centre for Antimatter-Matter Studies, Flinders University, Adelaide SA 5001, Australia 4Department of Physics, Chungnam National University, Daejeon 305-764, Korea. 5Graduate School of Sciences, Kyushu University, Fukuoka 812-8581,Japan. 6National Institute of Fusion Science, Toki 590-5292, Japan. 1 Introduction 2 Experimental Techniques for Precision Measurement of EELS and Vibrational Excitation Functions 3 Benchmark Cross Section for Vibrational Excitation A. Fusion Plasma-Related Gases B. Processing Plasma-Related Gases C. Environmental Issues-Related Gases 5 Concluding Remarks

  11. List of Molecules tabulated in this report A. Fusion Plasma-Related Gases CH4, C2H6, C3H8, C2H4, C3H6, isomers-C3H4 B. Processing Plasma-Related Gases CF4, C2F6, C3F8, cyclo-C4F8, C2F4, C6F6, C3F6 CH3F, CH2F2, CHF3 , CF3I NF3 SiH4, Si2H6, GeH4, SiF4 F2CO C. Environmental Issues -Related Gases CF3Cl, CF3Br, CF3I CO2, N2O, CO, OCS, CS2 (CH3)2O, (CH3)2CO C6H6, C6H5CH3, C6H5CF3, 1,1-C2H2F2

  12. IAEA & NIFS Report (2008) Electron-impact Excitation Cross Sections of Electronic States in Polyatomic Molecules -Application Examples of the BEB- scaling model in Optically-allowed Transitions- H. Kawahara1, H. Kato1,M. Hoshino1, M. C. Garcia1#, S. J. Buckman2, M. J.Brunger3, H. Cho4, Yong-Ki Kim†, D. Kato5, I. Murakami5, T. Kato5, and H. Tanaka1 1Department of Physics, Sophia University, Tokyo 102-8554, Japan 2Center for Antimatter-Matter Studies, Australian National University, Canberra ACT 0200, Australia 3Center for Antimatter-Matter Studies, Flinders University, Adelaide SA 5001, Australia 4Department of Physics, Chungnam National University, Daejeon 305-764,, Korea 5National Institute of Fusion Science, Toki 590-5292, Japan 1 Introduction 2 Overviews of the BEf-scaling method theory 3 Experimental Techniques for Precision Measurement of integral cross sections. 4 Benchmark Cross Section and BEf-scaling model for Optically allowed Electronic Excitation 5 Concluding Remarks 6 Acknowledgements

  13. List of Molecules tabulated in this report CO、H2、 CO2, H2O, ( N2,O2, N2O, CH4, C6H6) Concepts of Yong –ki Kim’s Theory We use the BEf-scaling on Born where T = incident energy of the electrons,B = Binding energy, E = Excitation Energy, faccu = accurate optical oscillator strength (OOS) value, fBorn = value of the optical oscillator strength obtained from the same wavefunctions used to calculate Born CO (A1Π) J. Chem. Phys. 126 (2007) 064307-1-13, H2（ 1Bu and 1Cu）Phys. Rev. A (2008) CO (C1Σ+ + c3Π, E1Π)Phys. Rev. A 77 (2008) 012713(1)-(7) CO2 (1Σ+u , 1Πu ) J. Phys. B 41 (2008) 085203(1)-(6)

  14. B. Developing Electron Collision Cross Sections forPolyatomic-Molecules • Collision Processes to be investigated • Quantitative Differential Cross Section Measurements • 1) Electron Energy-loss Spectroscopy (EELS): • Elastic Scattering DCS • Resonant Phenomena in Vibrational Excitation • Electronic Excitation Process, GOS • 2) Quadra- Pole- Mass Spectroscopy (QMSS) • Non-radiative Dissociation Products • (Threshold Ionization Spectroscopy) • Dissociative Attachment Processes • 3) Low Energy Electron Diffraction (LEED) (not done since 2007) • Surface and Phase Transition • proposed at 1st RCP meeting

  15. Collision Data for Molecules Electron Impactinvestigated at Sophia University CH4, C2H6, C3H8, C2H4, C3H4, C3H6 CF4, C2F6, C3F8, C2F4, c-C4F8, C6F6,C3F6 CF3H, CF2H2, CFH3, CH3I, CH3Br,CH3Cl CF3Cl, CF3Br, CF3I CF2Cl2, CFCl3, 1,1-C2F2H2 SiH4, Si2H6, SiF4, GeH4 NF3, C60, C6H6, C6H5CH3, C6H5CF3, (CH3)2CO N2O, CO2, COS, H2O, CS2, XeF2, HCN H2CO CO,NO, H2, N2, He, Xe, Kr, O2 Vibratinally excited-CO2*, N2O*, CF3I* (molecules marked in black after the 1st RCP, in pinkafter 2nd RCP)

  16. e + CH4CH3 + H + e e + CH3 CH3+ +2e Neutral Radical Detection-ionization threshold spectroscopy Table 1. Ionization thresholds

  17. 4s Rydberg Jahn-Teller Total Cross Sections of CH3 radicals by Electron Impact from Higher electronic excitation states in CH4

  18. Negative ion formations from CH4 by electron impact CH4 + e  CH4- CH3- + H CH2- + H2 CH- + H2 + H C- + 2H2 ? gas phase or surface TOF data is few eV higher (Krishnakumar)

  19. Total SiH3- SiH2- SiH- Si- Negative Ion Formation from SiH4 SiH4 + e  SiH3- SiH2- SiH- Si-

  20. B.1 Electron Interactions with Vibrationally -Excited (hot) Molecule Electron impact total cross section from vibrationally excited CO2

  21. 34mm μ metal Mo Cu pipe mesh Heater Thermocouple Electron impact DCS cross section from vibrationally excited CO2 CO2* (v≠0) + e Geometry of the heating nozzle H. Kato et al., Chem. Phys. Lett. accepted.

  22. 2Πu shape resonance

  23. Nozzle filament Analyzer Monochromator B.2 Recent Developments in Electron Collision ExperimentsNew electron energy loss spectrometer (EELS ll)

  24. Elastic DCS of CH3Cl HCl@Gote and Ehrhardt J.Phys.B 28 (1995) 3957.

  25. Development for TOF apparatus View of TOF setup.

  26. Lenz system Gas Cell Detector Ar Synchrotron Xe Cross section (cm2) Impact energy (eV) Cold Collision Experiments - photoelectron source induced by SR - Ar + h Ar+ + e E  10 meV E0  30meV Total cross section of Xe in low energy region (preliminary data ) Schematic view of experimental setup Research site: Photon Factory at KEK Xe, Kr, O2

  27. Summary A. Electron Collision Cross Section Database for Polyatomic Molecules Three NIFS reports prepared for elastic scattering DCS, vibtational, and electronic excitations B. Electron Interactions with Excited Molecules Vibrational excitation cross section determined for inelastic and super- elastic electron scattering in the ground-electronic state in hot CO2 C. Recent Developments in Electron Collision Experiments Four new Apparatuses developed recently for EELS, TOF, Negative ion, and Cold Collision Comprehensive, absolute, and correct cross-section data implemented through joint efforts involving many knowledgeable works and international collaboration

  28. Group Members Dr. M. Hoshino (Assist. Prof.) H. Kato (D3) : EELS I, II, SR Experiment H. Kawahara (M2) : EELS I, II, SR Experiment Y. Nagai (M2) : EELS I S. Kobayashi (M2) : Threshold Electron Spectroscopy by TOF D. Tomida (M2) : Positron Experiment Y. Kanazawa (M2) : Capillary Experiment on Highly Charged Ion T. Shishimoto(M1): Negative Ion Experiment H. Masui (M1): EELS I T. Asahina (M1) : EELS II, SR Experiment

  29. PROJECT PERSONNEL Chief Scientific Investigator: Hiroshi TANAKA (Prof. Sophia Univ. JAPAN) Other Supporting Scientific Staff: Masamitsu HOSHINO (Dr. Sophia Univ. JAPAN) Mineo KIMURA (Prof. Kyushu Univ. JAPAN, deceased) Michael J. BRUNGER (Prof. Flinders Univ. AUSTRALIA) Stephen J. BUCKMAN (Prof., Australian Nat’l Univ. AUSTRALIA) Casten MAKOCHEKANWA (Dr. Australian Nat’l Univ. AUSTRALIA ) Hyuck CHO (Prof. Chungnam Nat’l Univ. South KOREA) Many thanks to the IAEA- RCP for this collaboration ( 2005-2008 )

  30. Role of NIFS NETWORK IAEA Platform for Worldwide Database NIST, NIFS, APAN, etc Database Linkage Research Institute University Research Society Industry Individual

  31. Measurements of electron collision-cross sections Definition of various Cross Section Transmission experiment Crossed beam method ※Upper limit of cross sections ・Differential Cross Section for channel “n” ・Integral and Momentum transfer Cross Section Boltzmann equation ・Total Cross Section Swarm experiment

  32. Molecules investigated A. Fusion Plasma-Related Gases CH4, C2H6, C3H8, C2H4, C3H6, isomer- C3H4 B. Processing Plasma-Related Gases CF4, C2F6, C3F8, C3F6cyclo-C4F8, C2F4, C6F6, CH3F, CH2F2, CHF3 NF3, (SF6 ) SiH4, Si2H6, GeH4, SiF4 F2CO C. Environmental Issues -Related Gases CF3Cl, CF3Br, CF3I, CF2Cl2, CFCl3 CO2, N2O,( H2O), OCS, CS2H2CO, C6H5X(X=H,CH3,CF3), (CH3)2O, CH3I

  33. Results (publication list related to IAEA) 1) Experimental and theoretical elastic cross sections for electron collisions with the C3H6isomers, C. Makochekanwa et al, J. Chem. Phys. 124 024323-1 (2006) 2) Experimental observation of neutral radical formation from CH4 by electron impact in the threshold region, C. Makochekanwa et al, Phys. Rev. A 74 042705 (2006) 3) Low energy electron energy-loss spectroscopy of CF3X (X=Cl, Br), M. Hoshino et al, J. Chem. Phys. 126 024303 (2007) 4) Electron and positron scattering from 1,1-C2F2H2, C. Makochekanwa et al, J. Chem. Phys.126 164309-1 (2007) 5) Electron-impact excitation of the 1Bu and 1Cu electronic states of H2, H. Kato et al, Phys. Rev. A (2008) 6)Vibrationaaly excitation functions for inelastic and superelastic electron scattering from the ground-electronic state in hot CO2, H. Kato et al, Chem. Phys. Letter (2008)

  34. Electron Interactions with Molecule Collision Processes of Interest Quantitative Differential Cross Section Measurements Electron Energy-loss Spectroscopy (EELS): Elastic Scattering DCS Resonant Phenomena in Vibrational Excitation Electronic Excitation Process, GOS Quadra- Pole- Mass Spectroscopy (QMSS) Non-radiative Dissociation Products (Threshold Ionization Spectroscopy) Dissociative Attachment Processes Low Energy Electron Diffraction (LEED) Surface and Phase Transition (previously presented in 2005)

  35. Review Articles previously published Review articles after 1990, 1. International Bulletin on Atomic and Molecular Data for Fusion, 42(1992)-58(2000) published by IAEA, 2. Collision Data Involving Hydro-Carbon Molecules, H. Tawara, Y. Itikawa, H. Nishimura, H. Tanaka, and Y. Nakamura, NIFS-DATA-6 July (1990) 3. Atomic Data and Nuclear Data Tables 76 (2000) 1 4. One Century of Experiments on Electron-Atom and Molecule Scattering: a Critical Review of Integral Cross-sections Ⅱ-Polyatomic Moecules,Ⅲ-Hydrocarbons and Halides, G. P. Karwasz, R. S. Brusa, and A. Zecca, La Rivista del Nuvo Cimento 24 (1) (4) 2001 5. Analytic Cross Sections for Electron Collisions with Hydrocarbons: CH4, C2H6, C2H4, C2H2, C3H8, and C3H6, T. Shirai, T. Tabata, H. Tawara, and Y. Itikawa, Atomic Data and Nuclear Data Tables 80, 147-204 (2002) 6. Interaction of Photons and Electrons with Molecules, M.J.Brunger and S.J.Buckman, Photon and Electron Interactions with Atoms, Molecules, and Ions, vilI/17, sub-volume C ed Y. Itikawa, Landorf-Beurnstein (2003, Berlin: Springer) p6-118 7. Collision Processes of C2, 3Hy and C2, 3Hy Hydrocarbons with electrons and Protons R. K .Janev and D. Reiter, Phys. Plasma 11 (2004) 780 8. Vibrational Excitation of Polyatomic Molecules by Electron Collisions Y. Itikawa, J. Phys. B: At. Mol. Opt. Phys 37 R1-24 (2004)

  36. Recent Cross-section Data summarized in “Molecular Processes in Plasma-Collision of Charged Particles with Molecules-” (Springer Berlin Heidelberg New York 2007) by Itikawa as follows: Data Compilations in Printed Form Journals Exclusively Focused on Atomic and Molecular Data Online Database Review Papers Conference

  37. continued Research directions for 2008 and in future: 2008: propose directions for experimentalists and theorists to come up with new cross section data that would make the database for each molecule as complete as feasible as relates to the application to the fusion- and plasma processing- plasmas (proposed 2005) Furthermore, being proposed as follows: Experimental Verification for BEf - Scaling Law in Electron-Molecule Collision

  38. Barriers for The Micro-Processing in the Semiconductors Atomic and Molecular age Semiconductor Device age changeover 2000 2005 2010 2015 2020 2025 1995 year High-k Materials Insulator Material Barrier Low-k Materials Quantum-device Bio-device MOS Transistor Barrier Nano-mechanics device Atomic and Molecular Science and Technology age Analysis and Evaluation Barrier Atomic and Molecular Barrier Heads into the Atomic and Molecular Science and Technology age Bottom Down tech. Bottom Up tech.

  39. Research Sites Sophia electron positron Atom Molecule scattered electron photon ejected electron secondary-photo -Auger-electron SPring-8 Surface ion positive / negative ion, radical Science Univ. of Tokyo Photon Factory RIKEN

  40. BEf -scaling proposed by Yong-ki Kim 1. Ionization cross section Deduction of unavailable data Y.-K. Kim and M. E. Rudd, Phys. Rev. A 50, 3954 (1994)

  41. 2. Optically allowed electronic excitation for Atom

  42. BEf -scaling proposed by Yong-ki Kim 3. Electronic excitation cross sections in CO

  43. DCS for v =2 of the A state in CO

  44. GOS of v =2 of the A state in CO

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