Analysis of CAtalyst-Referred etching by means of first-principles calculations

• Project/Area Number: 22560110
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Single-year Grants
• Section: 一般
• Research Field: Production engineering/Processing studies
• Research Institution: Osaka University
• Principal Investigator: INAGAKI Kouji 大阪大学, 大学院・工学研究科, 助教 (50273579)
• Co-Investigator(Renkei-kenkyūsha): MORIKAWA Yoshitada 大阪大学, 大学院・工学研究科, 教授 (80358184) ; YAMAUCHI Kazuto 大阪大学, 大学院・工学研究科, 教授 (10174575)
• Project Period (FY): 2010 – 2012
• Project Status: Completed (Fiscal Year 2012)
• Budget Amount: ¥4,290,000 (Direct Cost: ¥3,300,000、Indirect Cost: ¥990,000); Fiscal Year 2012: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000); Fiscal Year 2011: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000); Fiscal Year 2010: ¥2,080,000 (Direct Cost: ¥1,600,000、Indirect Cost: ¥480,000)
• Keywords: 超精密加工 / 触媒援用加工法 / ワイドバンドギャップ半導体 / SiC / GaN / エッチング / 第一原理計算 / 触媒援用加工 / 解離吸着 / 触媒 / 反応バリア / 触媒援用化学エッチング / CARE / Pt / HF / 第一原理分子動力学シミュレーション / 活性化エネルギー / NEB法

Research Abstract

In this research, based on first-principles molecular-dynamicscalculation, SiC and GaN etching by highly-concentrated HF solution and pure water are analyzed, respectively. In both cases, dissociative adsorption reactions are simulated as an initial key stage of etching reaction. Reaction barriers for the dissociative adsorption of HF molecule on Platinum surface are clarified to be important to reduce barrier.

Research Products

• [Journal Article] First-principles theoretical study of hydrolysis of stepped and kinked Ga-terminated GaN surfaces (2013)
  • Author(s): M. Oue K. Inagaki K. Yamauchi Y. Morikawa
  • Journal Title: Nanoscale Research Letters Volume: 8 Pages: 232-232
  • Peer Reviewed
• [Journal Article] First-principles theoretical study of hydrolysis of stepped and kinked Ga-terminated GaN surfaces (2013)
  • Author(s): M. Oue
  • Journal Title: Nanoscale Research Letters Volume: 未定
  • Peer Reviewed
• [Journal Article] High-Resolution TEM Observation of 4H-SiC (0001) Surface Planarized by Catalyst-Referred Etching (2012)
  • Author(s): B. V. Pho, S. Sadakuni, T. Okamoto, R. Sagawa, K. Arima, Y. Sano, and K. Yamauchi
  • Journal Title: Materials Science Forum Volume: 717-720 Pages: 873-876
  • Peer Reviewed
• [Journal Article] First-Principles Study of Reaction Process of SiC and HF Molecules in Catalyst-Referred Etching (2012)
  • Author(s): P.V. Bui, K. Inagaki, Y. Sano, K. Yamauchi, Y. Morikawa
  • Journal Title: Engineering Materials Volume: 523-524 Pages: 173-177
  • Peer Reviewed
• [Journal Article] First-principles Analysis of Dissociative Absorption of HF Molecule at SiC Surface Step Edge (2012)
  • Author(s): K. Inagaki, B. V. Pho, K. Yamauchi and Y. Morikawa
  • Journal Title: Materials Science Forum Volume: 717-720 Pages: 581-584
  • Peer Reviewed
• [Journal Article] Adsorption of hydrogen fluoride on SiC surfaces: A density functional theory study (2012)
  • Author(s): P. V. Bui
  • Journal Title: Current Applied Physics Volume: 12 Pages: S42-S46
  • DOI: 10.1016/j.cap.2012.04.005
  • Peer Reviewed
• [Journal Article] Improvement of Removal Rate in Abrasive-free Planarization of 4H-SiC Substrates Using Catalytic Platinum and Hydrofluoric Acid (2012)
  • Author(s): T.Okamoto, Y.Sano, K.Tachibana, B.V.Pho, K.Arima, K.Inagaki, K.Yagi, J.Murata, S.Sadakuni, H.Asano, A.Isohashi, K.Yamauchi
  • Journal Title: Jpn.J.Appl.Phys. Volume: 51 Issue: 4R Pages: 46501-46501
  • DOI: 10.1143/jjap.51.046501
  • Peer Reviewed
• [Journal Article] Single-nanometer focusing of hard x-rays by Kirkpatrick-Baez mirrors (2011)
  • Author(s): K.Yamauchi, et al.
  • Journal Title: J.Phys. : Condens.Matter Volume: 23 Issue: 39 Pages: 394206-394206
  • DOI: 10.1088/0953-8984/23/39/394206
  • Peer Reviewed
• [Journal Article] An atomically controlled Si film formation process at low temperatures using atmospheric-pressure VHF plasma (2011)
  • Author(s): K. Yasutake, H. Kakiuchi, H. Ohmi, K. Inagaki, Y. Oshikane and M. Nakano
  • Journal Title: J. Phys.: Condens. Matter Volume: vol.23 Issue: 39 Pages: 1-22
  • DOI: 10.1088/0953-8984/23/39/394205
  • Peer Reviewed
• [Journal Article] Breaking the 10 nm barrier in hard-X-ray focusing (2010)
  • Author(s): H.Mimura, (6名略), K.Inagaki, (5名略)T.Ishikawa, K.Yamauchi
  • Journal Title: NATURE PHYSICS Volume: 2 Pages: 122-125
  • Peer Reviewed
• [Presentation] 第一原理計算によるHF水溶液のアニーリング (2012)
  • Author(s): 弘瀬大地, 稲垣耕司, 森川良忠
  • Organizer: 日本物理学会第67回年次大会
  • Place of Presentation: 兵庫県西宮市
  • Year and Date: 2012-03-26
• [Presentation] Pt触媒を用いた水分子によるGaN表面エッチング現象初期過程の第一原理計算による解明 (2012)
  • Author(s): 大上まり, 稲垣耕司, 山内和人, 森川良忠
  • Organizer: 応用物理学会2012年度春季大会
  • Place of Presentation: 東京都新宿区
  • Year and Date: 2012-03-17
• [Presentation] HラジカルによるSi表面プラズマェッチングにおける表面H拡散の役割 (2012)
  • Author(s): 稲垣耕司, 森川良忠, 安武潔
  • Organizer: 応用物理学会2012年度春季大会
  • Place of Presentation: 東京都新宿区
  • Year and Date: 2012-03-16
• [Presentation] First- Principles Simulations of Catalyst Assisted Wet-etching Processes at Semiconductor Surfaces (2012)
  • Author(s): K. Inagaki,M. Oue,B.V. Pho,D. Hirose,K. Yamauchi , and Y. Morikawa
  • Organizer: Fifth International Symposium on Atomically Controlled Fabrication Technology
  • Place of Presentation: Osaka
• [Presentation] 第一原理計算による GaN 表面エッチング現象初期過程の解明 (2012)
  • Author(s): 大上まり、稲垣耕司、山内和人、森川良忠
  • Organizer: 第73回応用物理学会学術講演会
  • Place of Presentation: 愛媛大学・松山大学
• [Presentation] A Study of Terminated Species on 4H-SiC (0001) Surfaces Planarized using Hydrofluoric Acid (2012)
  • Author(s): P. V. Bui, S. Sadakuni, T. Okamoto, K. Arima, Y. Sano, K. Yamauchi
  • Organizer: The 9th European Conference on Silicon Carbide and Related Materials
  • Place of Presentation: Saint-Petersburg, Russia
• [Presentation] 第一原理計算による HF 水溶液のアニーリング (2012)
  • Author(s): 弘瀬大地,稲垣耕司,森川良忠
  • Organizer: 日本物理学会第67回年次大会
  • Place of Presentation: 関西学院大学
• [Presentation] First-principles Analysis of the Initial Stage of the Chemical Etching Process of GaN (2012)
  • Author(s): M Oue
  • Organizer: 8th Handai Nanoscience and Nanotechnology International Symposium
  • Place of Presentation: Osaka Japan
• [Presentation] First-Principles Simulations of Catalyst Assisted Wet-etching Processes at Semiconductor Surfaces (2012)
  • Author(s): K. Inagaki
  • Organizer: Fifth International Symposium on Atomically Controlled Fabrication Technology
  • Place of Presentation: Osaka Japan
• [Presentation] First-Principles Analysis of CARE Process of SiC (2012)
  • Author(s): D. Hirose
  • Organizer: Fifth International Symposium on Atomically Controlled Fabrication Technology
  • Place of Presentation: Osaka Japan
• [Presentation] First-Principles Study of Platinum Catalyst-Assisted Hydrogen Fluoride Adsorption on SiC Surfaces (2012)
  • Author(s): B.V. Pho
  • Organizer: Fifth International Symposium on Atomically Controlled Fabrication Technology
  • Place of Presentation: Osaka Japan
• [Presentation] 第一原理計算によるGaN表面エッチング現象初期過程の解明 (2012)
  • Author(s): 大上まり
  • Organizer: 2012年秋季 第73回応用物理学会学術講演会
  • Place of Presentation: 愛媛県松山市
• [Presentation] Crystallo- graphically highly-ordered GaN (0001) surface prepared by catalyst referred etching (2011)
  • Author(s): K. Yamauchi(invited)
  • Organizer: IWBNS7
  • Place of Presentation: Koyasan, Wakayama, Japan
• [Presentation] 第一原理計算によるGaN(0001)表面の終端原子構造の解析 (2011)
  • Author(s): 大上まり, 稲垣耕司, 森川良忠
  • Organizer: 日本物理学会2011年年次大会
  • Place of Presentation: 新潟市
• [Presentation] HによるSi表面エッチングにおけるH終端Si(001)表面上でのH拡散の寄与 (2011)
  • Author(s): 稲垣耕司, 広瀬喜久治, 森川良忠, 安武潔
  • Organizer: 日本物理学会2011年年次大会
  • Place of Presentation: 新潟市
• [Presentation] カーボンアロイ触媒によるCO酸化反応の第一原理シミュレーション (2011)
  • Author(s): 井関信太郎, 稲垣耕司, 森川良忠
  • Organizer: 日本物理学会2011年年次大会
  • Place of Presentation: 新潟市
• [Presentation] First-principles Analysis Silicon Etching by Hydrogen Radical-Diffusion of Absorbed Hydrogen Atom on Si(001)2x1 Surface- (2010)
  • Author(s): K.Inagaki K.Hirose Y.Morikawa, K.Yasutake
  • Organizer: Third International Symposium on Atomically Controlled Fabrication Technology
  • Place of Presentation: Suita, Japan
  • Year and Date: 2010-11-24
• [Presentation] First-Principles Study of CO Oxidation on Carbon Alloy Catalysts (2010)
  • Author(s): S.Iseki, K.Inagaki, Y.Morikawa
  • Organizer: Third International Symposium on Atomically Controlled Fabrication Technology
  • Place of Presentation: Suita, Japan
  • Year and Date: 2010-11-24
• [Presentation] First-Principles study of electron transfer from 4H-SiC(0001) to Pt (2010)
  • Author(s): S.Iseki, K.Inagaki, K.Yamauchi, Y.Morikawa
  • Organizer: International Conference on Core Research and Engineering Science of Advanced Materials
  • Place of Presentation: Osaka, Japan
• [Presentation] カーボンアロイ触媒によるCO酸化反応の第一原理シミュレーション (2010)
  • Author(s): 井関信太郎、稲垣耕司、森川良忠
  • Organizer: 第4回分子科学討論会2010大阪
  • Place of Presentation: 大阪府豊中市
• [Presentation] H終端2x1Si(001)表面に過剰吸着したH原子の拡散過程 (2010)
  • Author(s): 稲垣耕司、広瀬喜久治、安武潔
  • Organizer: 日本物理学会2010年秋季大会
  • Place of Presentation: 長崎市
• [Presentation] 水素終端化Si(001)2x1表面に過剰吸着したHの拡散 (2010)
  • Author(s): 稲垣耕司、広瀬喜久治、安武潔
  • Organizer: 日本物理学会2010年秋季大会
  • Place of Presentation: 大阪市