Hiroshi Tanaka Department of Physics Sophia University, Tokyo, JAPAN

1. Electron Collision Data of C-H Compound Molecules for Plasma ModelingFramework for Our Research ProposalThe IAEA’s Co-ordinated Research Program on” Atomic and Molecular Data for Plasma Modeling” Hiroshi Tanaka Department of Physics Sophia University, Tokyo, JAPAN 1stResearch Co-ordination Meeting of the IAEA’s Co-ordinated Research Program on ” Atomic and Molecular Data for Plasma Modeling” IAEA, Vienna, Austria 26-28 Sep. 2005

2. RESEARCHER’S INSTITUTE Department of Physics Sophia University Tokyo JAPAN CONTACT DETAILS: Telephone: +81-3-3238-3472 Facsimile: +81-3-3238-3341 E-mail: h_tanaka@sophia.ac.jp

3. PROPOSED TITLE OF RESEARCH TOPIC (under Co-ordinated Research Project the research will support) Electron Collision Data of C-H Compound Molecules for Plasma Modeling

4. SUMMARY OF THE PROPOSED RESEARCH Target Molecules: H-C molecules produced from the internal wall materials of fusion chambers Research directions for three year project: 1st year: compilation and analysis of data already available in literature that relates to this filed of plasma modeling. 2nd year : analyzing recent data from our collaboration group in conjunction with related data from other laboratories on cross sections from these molecules. 3rd year: 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.

5. PROJECT PERSONNEL Chief Scientific Investigator: Hiroshi TANAKA (Prof. Sophia Univ. Japan) Other Supporting Scientific Staff: Mineo KIMURA (Prof. Kyushu Univ. JAPAN) Casten MAKOCHEKANWA (Dr. JSPS Fellow JAPAN ) Masamitsu HOSHINO (Dr.Sophia Univ. JAPAN) Hyuck CHO (Prof. Chungnam Nat’l Univ. South KOREA) Michael J. BRUNGER(Prof. Flinders Univ. of Southen AU AU) Stephen J. BUCKMAN(Prof., Australian Nat’l Univ. AU)

6. DESCRIPTION OF RESEARCH OBJECTIVES AND ANTICIPATED OUTCOMES Main Objectives: ￭ Understanding electron-C-H compound molecule interactions in the fundamental collision processes for Fusion and Plasma processing Plasmas ￭ The comprehensive evaluation and analysis of the previous related cross section data available in literature from all over the world within the framework of IAEA International Bulletin on Atomic and Molecular Data for Fusion.

7. DESCRIPTION OF RESEARCH OBJECTIVES AND ANTICIPATED OUTCOMES continued ￭ Compilation of new data from our group as well as from other research groups into the database. 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. ￭ Propose new directions for producing missing but necessary experimental and theoretical data for these processes Currently, from a world wide perspective, the data source for these absolute cross sections are from these Australian, South Korean, and Japanese experimental groups involved in this collaboration. Other possible sources may include the Polish, Danish, Spanish, Brazilian, and Switzerland

8. WORK PLAN Year 1: 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: 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: Proposal of new directions for producing missing but necessary experimental and theoretical data for these processes related to fusion and plasma processing plasmas.

9. Brief description of facilities available Only limited to measurement of absolute cross sections 1)Sophia University (JP): three cross beam spectrometers 2)Flinders University of Southern Australia (AU): two cross beam spectrometers 3) Australian National University (AU): two cross beam spectrometers 4) Chungnam National University (SOK): one cross beam spectrometer 5)Kyushu University (JP): data analysis

10. PROPOSED COMMENCEMENT DATE 1 September 2005

11. Preliminary stage 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)

12. Ongoing Data Collection Network Scattered Electron Collision Data Since 1990 JAPAN AUSTRALIA S.KOREA Data Base IAEA

13. Data Needs for Electron Interaction with Plasma Processing and Fusion Plasma Gases H.TANAKA , M. HOSHINO, and C. MAKOCHEKANWA Department of Physics Sophia University Tokyo, Japan 1stResearch Co-ordination Meeting of the IAEA’s Co-ordinated Research Program on ” Atomic and Molecular Data fror Plasma Modeling” IAEA, Vienna, Austria 26-28 Sep. 2005

14. Collaboration International Chugnam National University ( Prof. Cho S. Korea) Australian National University (Prof. Buckman AU) Flinders University of Southern Australia (Prof. Brunger AU) The Open University (Prof. Mason UK) Domestic Kyushu University (Prof. Kimura, Collaboration Theoretical) NIFS (Prof. Kato under the Japan-Korea CUP program) JAERI (Dr. Kubo under the Fusion Plasma Project in Japan) Tohoku University(Prof. Ueda, SR experiment at Spring-8) RIKEN (Prof. Yamazaki, Highly Charged Ion Research)

15. Group Members Dr. M. Hoshino (Dr. Research Associate) Dr. C. Makochekanwa (Dr. JSPS Fellow, Kyushu Univ.) T. Tanaka (D1) H.Kato (M2) K.Nakagawa (M2) Y.Miyamoto (M2) K.Oguri (M2)

16. Research Sites Sophia electron Atom Molecule scattered electron photon ejected electron secondary-photo -Auger-electron SPring-8 Surface ion positive / negative ion, radical RIKEN

17. Views from Databaseassessed data on electron collision cross sections Data users in various application fields * fusion science * astrophysics * industrial plasmas * environmental physics * medical (radiotherapy) etc. Data provide Data providers (Atomic physicists) * theory * experiment Hard to find or request data Data requests Data search for check Data provide Data needs Data search Data provide feedback Data centers data compilation data evaluation (important but not easy) dissemination and updating of database retrievable online database = easy to access, use, find data International A&M data center network IAEA, NIFS, NIST, ORNL, GAPHIOR, etc.

18. Electron Interaction 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

19. 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

20. Collision Data for Molecules by Electron Impactinvestigated at Sophia University CH4, C2H6, C3H8, C2H4, C3H4,C3H6 CF4, C2F6, C3F8, C2F4, c-C4F8, C6F6, C3F6 CF3H, CF2H2, CFH3 CF3Cl, CF3Br, CF3I CF2Cl2, CFCl3 SiH4, Si2H6, SiF4, GeH4 NF3, C60 N2O, CO2, COS, H2O, CS2, XeF2, HCN F2CO

21. Activities on Data Compilation NIFS: Compile the previous related data available in literature but scattered in different places all over JAPAN for Plasma Processing JAERI: Provide the electron collision data of the C-H double bond compound molecules for Fusion Our Data Base to be prepared in IAEA,NIFS Report, and AAMOP

22. On-going andNear -futureMeasurements EELS: Elastic Scattering: C3H6 isomers, C3F6 Vibrational Excitation : C3F6, COF2 Electronic Excitation : C3F6, COF2, H2O, DNA bases Excited Molecular Target: vibratinally excited H2, CO2 QMSS: Radical Detection: CHx (X=31) from CH4 Negative Ion Detection: Gas- and Condensed-Phase LEED: Anti-ferromagnetic Surface: NiO, CoO, FeO

23. Why C3H6, C3F6, and COF2? Data Base for Alternative Gases in Plasma Etching Process Data Base for Hydro-carbon Molecules near the Edge Plasma of Fusion Plasma

24. New trends in processing system design Two approaches have been introduced: Vertically integrated computer-aided design for device processing(VicAddress) (Prof. Makabe’s group, Japan) Intelligent nano-prosessing technology for nanometer-processing techniques with in-time monitoring and simulation(System-on chip (SoC) design) (Prof. Samukawa’s group, Japan) Plasma Processing will be still in core methodology!

25. Database Gas-phase C + A A+ + B- A + AB Q(ε) Kj Source Governing Equation Modeling flows for plasma processing Feed Gas from T. Makabe

26. Gases commonly used for plasmaetching Current database needs to elaborate on the optimum conditions between the device designer and the process engineer.

27. Green Chemistry In parallel with the trends, more ecologically friendly processing technology is demanded: • High-performance etching of SiO2 at high efficiency with small amounts of PFC gases • Etching of SiO2 using alternative gases with low GWP value • Cleaning alternative gases for electronics devices with low GWP value (targets in ASET/ RITE/ Mirai / Projects of NEDO in JAPAN) (ASET: Association of Super-advanced Electronics Technology) (RITE: Research Institute of Innovative Technology for the Earth) (NEDO:New Energy and Industrial Technology Development Organization)

28. Alternative Candidatescompared with feed gases commonly used GWP: Global Warming Potential NFPA: National Fire Protection Association

29. ITER (International Thermonuclear Reactor)agreed in June to be built in Cadarache, France Data Needs for Carbon impurities (H-C molecules) produced by physical and chemical sputtering CH3, CH4, C2H2, C2H4, C2H6, C3H8 Vibrationally (Hot) excited Molecules H2, D2

31. Electron Collision Cross Section Data e + C2H4 prototype of double bond H-C elastic scattering qm vibrationalexcitation qv electronic excitation qe ionization qi From M. Hayashi

32. C3X6 elastic DCS(X = H, F) △：C3H6 ■：C3F6 Double bond X2C2X2 (C2H4,C2F4) X2C2XCX3 (C3H6, C3F6)

33. e + CH4CH3 + H + e e + CH3 CH3+ +2e Table 1. Ionization thresholds Neutral Radical Detection

34. Deduction for unknown DCS

35. COF2 vibrational excitation

36. COF2 Electronic Excitation

37. Hot Molecular Beam Source e- ６００℃ ２５００℃ １２００℃ Electron Bombardment Sheath heater -24-

38. Results Comparison C 1s-12u excitation O 1s-12u excitation

39. Outlook EELS: Elastic Scattering: C3H6C3F6 COF2 Vibrational Excitation : C3H6C3F6 COF2 Electronic Excitation : C3F6 COF2 (H2O, DNA bases) QMSS: Radical Detection: CHx (X = 30) from CH4 Our Data Base to be prepared in IAEA,NIFS Report, and AAMOP

40. Future Plan Radical Detection: OH from H2O Excited Molecular Target: vibratinally excited H2,CO2 Negative Ion Detection: Gas- and Condensed-Phase

41. H2O vibrational excitation

42. H2O electronic excitation

43. H2O GOS

44. Alternative Candidates Feed Gases commonly used GWP: Global Warming Potential A.L.T: Atmospheric Life Time