Property control of oxides from impurity doping toward materials design

• Project/Area Number: 21760030
• Research Category: Grant-in-Aid for Young Scientists (B)
• Allocation Type: Single-year Grants
• Research Field: Thin film/Surface and interfacial physical properties
• Research Institution: National Institute for Materials Science
• Principal Investigator: UMEZAWA Naoto National Institute for Materials Science, 光触媒材料センター, 主任研究員 (20455273)
• Project Period (FY): 2009 – 2010
• Project Status: Completed (Fiscal Year 2010)
• Budget Amount: ¥4,550,000 (Direct Cost: ¥3,500,000、Indirect Cost: ¥1,050,000); Fiscal Year 2010: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000); Fiscal Year 2009: ¥2,860,000 (Direct Cost: ¥2,200,000、Indirect Cost: ¥660,000)
• Keywords: 不純物 / 格子欠陥 / 第一原理計算 / 酸化物 / ゲート絶縁膜 / 光触媒 / 不純物ドープ / 界面制御 / 電子相関 / 欠陥密度 / high-k / 多価元素 / 相関汎関数

Research Abstract

This theoretical study revealed that the properties of oxide materials used in semiconductor devices or photocatalysis can be improved by making contacts with other materials or doping with foreign elements. In particular, the proposed method for minimizing defect concentrations by controlling oxygen flows through interfaces between two materials is a noticeable achievement since it gives a new guideline for materials design.

Research Products

• [Journal Article] Electronic coupling assembly of semiconductor nanocrystals : self-narrowed band gap to promise solar energy utilization (2011)
  • Author(s): Hua Tong, Naoto Umezawa, Jinhua Ye, Takahisa Ohno
  • Journal Title: Energy, Environmental Science 4 Pages: 1684-1689
  • Peer Reviewed
• [Journal Article] Facet Effect of Single-Crystalline Ag3PO4 Sub-microcrystals on Photocatalytic Properties (2011)
  • Author(s): Yingpu Bi, Shuxin Ouyang, Naoto Umezawa, Junyu Cao, Jinhua Ye
  • Journal Title: J.Am.Chem.Soc. 133 Pages: 6490-6492
  • Peer Reviewed
• [Journal Article] Visible light photoactivity from a bonding assembly of titanium oxide nonocrystals (2011)
  • Author(s): Hua Tong, Naoto Umezawa, Jinhua Ye
  • Journal Title: Chem.Comm. 47 Pages: 4219-4221
  • Peer Reviewed
• [Journal Article] Theoretical study of high photocatalytic performance of Ag3PO4 (2011)
  • Author(s): Naoto Umezawa, Ouyang Shuxin, Jinhua Ye
  • Journal Title: Phys.Rev.B 83
  • Peer Reviewed
• [Journal Article] Theoretical study of high photocatalytic performance of Ag3PO4 (2011)
  • Author(s): Naoto Umezawa, Ouyang Shuxin, Jinhua Ye
  • Journal Title: Physical Review B Volume: 83
  • Peer Reviewed
• [Journal Article] Visible light photoactivity from a bonding assembly of titanium oxide nonocrystals (2011)
  • Author(s): Hua Tong, Naoto Umezawa, Jinhua Ye
  • Journal Title: Chemical Communications Volume: 47 Pages: 4219-4221
  • Peer Reviewed
• [Journal Article] Facet Effect of Single-Crystalline Ag3PO4 Sub-microcrystals on Photocatalytic Properties (2011)
  • Author(s): Yingpu Bi, Shuxin Ouyang, Naoto Umezawa, Junyu Cao, Jinhua Ye
  • Journal Title: Journal of the American Chemical Society Volume: 133 Pages: 6490-6492
  • Peer Reviewed
• [Journal Article] Electronic coupling assembly of semiconductor nanocrystals : self-narrowed band gap to promise solar energy utilization (2011)
  • Author(s): Hua Tong, Naoto Umezawa, Jinhua Ye, Takahisa Ohno
  • Journal Title: Energy & Environmental Science Volume: 4 Pages: 1684-1689
  • Peer Reviewed
• [Journal Article] Origin of high solubility of silicon in La_2O_3 : A first-principles study (2010)
  • Author(s): Naoto Umezawa, Kenji Shiraishi
  • Journal Title: Appl.Phys.Lett. 97
  • Peer Reviewed
• [Journal Article] Effects of capping HfO2 with multivalent oxides toward reducing the number of charge defects (2010)
  • Author(s): Naoto Umezawa
  • Journal Title: Appl.Phys.Lett. 96
  • Peer Reviewed
• [Journal Article] Origin of high solubility of silicon in La2O3 : A first-principles study (2010)
  • Author(s): Naoto Umezawa, Kenji Shiraishi
  • Journal Title: Applied Physics Letters Volume: 97
  • NAID: 120007137820
  • Peer Reviewed
• [Journal Article] Effects of capping HfO_2 with multivalent oxides toward reducing the number of charged defects (2010)
  • Author(s): Naoto Umezawa
  • Journal Title: Applied Physics Letters 96
  • Peer Reviewed
• [Presentation] Building correlation energy functional from transcorrelated approach (2010)
  • Author(s): Naoto Umezawa, Brian Austin, William A.Lester, Jr.
  • Organizer: Psi-k meeting 2010
  • Place of Presentation: Berlin.
  • Year and Date: 2010-09-15
• [Presentation] Building correlation energy functional from transcorrelated approach (2010)
  • Author(s): Naoto Umezawa, Brian Austin, William A.Lester, Jr.
  • Organizer: Psi-k meeting 2010
  • Place of Presentation: Berlin
  • Year and Date: 2010-09-15
• [Presentation] Remote Control of High-k/Si Gate Stack Properties (2010)
  • Author(s): Naoto Umezawa
  • Organizer: 2010 Materials Research Society Spring Meeting
  • Place of Presentation: San Francisco, California, USA
  • Year and Date: 2010-04-07
• [Presentation] Self-interaction-free nonlocal correlation energy functional associated with a Jastrow function (2010)
  • Author(s): Naoto Umezawa, Brian Austin, William A.Lester, Jr.
  • Organizer: American Physical Society, March Meeting 2010
  • Place of Presentation: Portland, Oregon, USA.
  • Year and Date: 2010-03-17
• [Presentation] Self-interaction-free nonlocal correlation energy functional associated with a Jastrow function (2010)
  • Author(s): Naoto Umezawa, Brian Austin, William A.Lester, Jr.
  • Organizer: American Physical Society, March Meeting 2010
  • Place of Presentation: Portland, Oregon, USA
  • Year and Date: 2010-03-17
• [Presentation] Quality Control of High-k gate Oxides by Doping with Impurities : Guidelines from Theoretical Analysis (2009)
  • Author(s): Naoto Umezawa
  • Organizer: 40th IEEE Semiconductor Interface Specialists Conference
  • Place of Presentation: Arlington, Virginia, USA
  • Year and Date: 2009-12-03
• [Presentation] Quality Control of High-k gate Oxides by Doping with Impurities : Guidelines from Theoretical Analysis (2009)
  • Author(s): Naoto Umezawa
  • Organizer: 40^<th> IEEE Semiconductor Interface Specialists Conference
  • Place of Presentation: Arlington, Virginia, USA
  • Year and Date: 2009-12-03
• [Patent(Industrial Property Rights)] 界面層削減方法、高誘電率ゲート絶縁膜の形成方法、高誘電率絶縁膜、及び高誘電率ゲート酸化膜を有するトランジスタ (2009)
  • Inventor(s): 梅澤直人、知京豊裕、生田目俊秀
  • Industrial Property Rights Holder: 独立行政法人物質・材料研究機構
  • Filing Date: 2009-12-01
• [Patent(Industrial Property Rights)] 界面層削減方法、高誘電率ゲート絶縁膜の形成方法、高誘電率絶縁膜、及び高誘電率ゲート酸化膜を有するトランジスタ (2009)
  • Inventor(s): 梅澤直人, 知京豊裕, 生田目俊秀
  • Industrial Property Rights Holder: 物質・材料研究機構
  • Industrial Property Number: 2009-273000
  • Filing Date: 2009-12-01