Development of Practical Simulator of Interconnect Lifetime Based on Quantum Theory

2011 Fiscal Year Final Research Report

• Project/Area Number: 21360158
• Research Category: Grant-in-Aid for Scientific Research (B)
• Allocation Type: Single-year Grants
• Section: 一般
• Research Field: Electron device/Electronic equipment
• Research Institution: Tohoku University
• Principal Investigator: TSUBOI Hideyuki 東北大学, 未来科学技術共同研究センター, 准教授 (20375182)
• Co-Investigator(Kenkyū-buntansha): MIYAMOTO Akira 東北大学, 未来科学技術共同研究センター, 教授 (50093076) ; TAKABA Hiromitsu 東北大学, 大学院・工学研究科, 准教授 (80302769) ; HATAKEYAMA Nozomu 東北大学, 大学院・工学研究科, 准教授 (50312666) ; SUZUKI Ai 東北大学, 未来科学技術共同研究センター, 助教 (40463781)
• Project Period (FY): 2009 – 2011
• Keywords: エレクトロマイグレーション / 超高速化量子分子動力学法 / 電子wind force / 配線寿命 / 実物モデル化

Research Abstract

The electromigration (EM)of the wiring material from which movement and diffusion of a metal atom become a trigger has influenced the semiconductor device life directly, and is a critical solution subject in the further miniaturization and high integration of a semiconductor. In this research, the practical wiring life prediction simulator by integration with the kinetic Monte Carlo method was developed based on the novel ultra-accelerated quantum chemical molecular dynamics method to analyze directly EM phenomenon which atoms and holes move by the electron wind force in an electron and an atomic level.

Research Products

• [Journal Article] CO Oxidation and NO Reduction on MgO(100)Supported Pd Cluster : A Quantum Chemical Molecular Dynamics Study (2011)
  • Author(s): Farouq Ahmed, Ryo Nagumo, Ryuji Miura, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama, Hiromitsu Takaba, Akira Miyamoto
  • Journal Title: Journal of Physical Chemistry C Volume: 115 Pages: 24123-24132
  • DOI: DOI:10.1021/jp204348e
  • Peer Reviewed
• [Journal Article] Comparison of Reactivity on Step and Terrace Sites of Pd (332)Surface for the Dissociative Adsorption of Hydrogen : A Quantum Chemical Molecular Dynamics Study (2011)
  • Author(s): Farouq Ahmed, Ryo Nagumo, Ryuji Miura, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Akira Miyamoto
  • Journal Title: Applied Surface Science Volume: 257 Pages: 10503-10513
  • DOI: DOI:10.1016/j.apsusc.2011.07.028
  • Peer Reviewed
• [Journal Article] Multiscale Simulation of Dye-Sensitized Solar Cells Considering Schottky Barrier Effect at Photoelectrode (2011)
  • Author(s): Mari Onodera, Ryo Nagumo, Ryuji Miura, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Akira Miyamoto
  • Journal Title: Japanese Journal of the Applied Physics Volume: 50 Pages: 04DP0
  • DOI: DOI:10.1143/JJAP.50.04DP06
  • Peer Reviewed
• [Journal Article] Theoretical Study on Effect of SiC Crystal Structure on Carrier Transfer in Quantum Dot Solar Cells (2011)
  • Author(s): Sho Hirose, Itaru Yamashita, Ryo Nagumo, Ryuji Miura, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Akira Miyamoto
  • Journal Title: Japanese Journal of the Applied Physics Volume: 50 Pages: 04DP05
  • DOI: DOI:10.1143/JJAP.50.04DP05
  • Peer Reviewed
• [Journal Article] Computational Study on Carrier Injection in Ca/Poly(9, 9'-dioctylfluorene)Interface by Using Quantum Chemistry and Monte Carlo Methods (2011)
  • Author(s): Itaru Yamashita, Hiroaki Onuma, Ryo Nagumo, Ryuji Miura, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Akira Miyamoto
  • Journal Title: Japanese Journal of the Applied Physics Volume: 50 Pages: 04DK02
  • DOI: DOI:10.1143/JJAP.50.04DK02
  • Peer Reviewed
• [Journal Article] Modeling of Hydrogen Vacancy for Dissociative Adsorption of H2 on Pd (111)Surface by A Quantum Chemical Molecular Dynamics (2011)
  • Author(s): Farouq Ahmed, Md. Khorshed Alam, Ryuji Miura, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Akira Miyamoto
  • Journal Title: Catalysis Today Volume: 164 Pages: 16-22
  • DOI: DOI:10.1016/j.cattod.2010.10.009
  • Peer Reviewed
• [Journal Article] Surface Reduction Processes of Cerium Oxide Surfaces by H2 Using Ultra Accelerated Quantum Chemical Molecular Dynamic Study (2011)
  • Author(s): Md. Khorshed Alam, Farouq Ahmed, Ryuji Miura, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Akira Miyamoto
  • Journal Title: Catalysis Today Volume: 164 Pages: 9-15
  • DOI: DOI:10.1016/j.cattod.2010.10.011
  • Peer Reviewed
• [Journal Article] Modeling of Dye-Sensitized Solar Cells Based on TiO2 Electrode Structure Model (2010)
  • Author(s): Mari Onodera, Kei Ogiya, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Akira Miyamoto
  • Journal Title: Japanese Journal of the Applied Physics Volume: 49 Pages: 04DP10
  • DOI: DOI:10.1143/JJAP.49.04DP10
  • Peer Reviewed
• [Journal Article] Development of Computational Method for Analysis of Carrier Transfer in Light-Emitting Polymers (2010)
  • Author(s): Itaru Yamashita, Kazumi Serizawa, Hiroaki Onuma, Ai Suzuki, Ryuji Miura, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Mark C. Williams, Akira Miyamoto
  • Journal Title: Japanese Journal of the Applied Physics Volume: 49 Pages: 04DK13
  • DOI: DOI:10.1143/JJAP.49.04DK13
  • Peer Reviewed
• [Journal Article] An Electrical Conductivity Prediction Simulator Based on TB-QCMD and KMC. System Development and Applications (2009)
  • Author(s): Hideyuki Tsuboi, Arnabhiram Chutia, Chen Lv, Zigang Zhu, Hiroaki Onuma, Ryuji Miura, Ai Suzuki, Riadh Sahnoun, Michihisa Koyama, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Carlos A. Del Carpio, Ramesh C. Deka, Momoji Kubo, Akira Miyamoto
  • Journal Title: ournal of Molecular Structure Volume: 903 Pages: 11-22
  • DOI: DOI:10.1016/j.theochem.2008.11.040
  • Peer Reviewed
• [Journal Article] Development of a Multi-Scale Electromigration Simulator Based on a Combination of Ultra Accelerated Quantum Chemical Molecular Dynamics and Kinetic Monte Carlo Methods. Application to Cu Interconnects Lifetime Simulation (2009)
  • Author(s): Hideyuki Tsuboi, Asami Kato, Hiromi Sato, Humie Hasekura, Saori Oda, Hiroshi Setogawa, Chie Abe, Arnubhiram Chutia, Chen Lv, Zigang Zhu, Ryuji Miura, Ai Suzuki, Riadh Sahnoun, Michihisa Koyama, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Carlos A. Del Carpio, Ramesh C. Deka, Momoji Kubo, Akira Miyamoto
  • Journal Title: apanese Journal of the Applied Physics Volume: 48 Pages: 04C020
  • DOI: DOI:10.1143/JJAP. 48. 04C020
  • Peer Reviewed
• [Journal Article] Computational Evaluation of Electrical Conductivity on SiC and The Influence of Crystal Defects (2009)
  • Author(s): Hideyuki Tsuboi, Megumi Kabasawa, Seika Ouchi, Miki Sato, Riadh Sahnoun, Michihisa Koyama, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Carlos A. Del Carpio, Yasuo Kitou, Emi Makino, Norikazu Hosokawa, Jun Hasegawa, Shoichi Onda, Akira Miyamoto
  • Journal Title: Materials Science Forum Volume: 600-603 Pages: 497-500
  • DOI: DOI:10.4028/3-908453-11-9.497
  • Peer Reviewed
• [Presentation] 実験融合マルチレベルコンピュータ化学手法の開発とシリコン材料・デバイスへの応用 (2011)
  • Author(s): 宮本明
  • Organizer: シリコン材料・デバイス研究会(SDM)
  • Place of Presentation: 東北大学
  • Year and Date: 2011-10-21
• [Presentation] 自動化超高速化量子分子動力学法の開発とシリコン表面のドライ・ウェットおよびラジカル酸化反応シミュレーション (2010)
  • Author(s): 坪井秀行
  • Organizer: 応用物理学会シリコンテクノロジー分科会第128回研究集会
  • Place of Presentation: 機械振興会館
  • Year and Date: 2010-11-12
• [Presentation] 自動化超高速化量子分子動力学法の開発とシリコン酸化膜形成の反応解析への応用 (2010)
  • Author(s): 坪井秀行
  • Organizer: シリコン材料・デバイス研究会(SDM)
  • Place of Presentation: 東北大学
  • Year and Date: 2010-10-22
• [Presentation] Development of a Multi-Scale Time Dependent Dielectric Breakdown Simulator Based on TBQC and KMC Method : Application to the Evaluation of a Gate Oxide Film for CMOS Technology (2010)
  • Author(s): Hideyuki Tsuboi
  • Organizer: 2010 International Conference on Solid State Devices and Materials (SSDM 2010)
  • Place of Presentation: Tokyo University
  • Year and Date: 2010-09-23
• [Presentation] 量子化学およびKMC法によるシリカ膜中電子移動のマルチスケールシミュレーション (2010)
  • Author(s): 坪井秀行
  • Organizer: 第106回触媒討論会
  • Place of Presentation: 山梨大学
  • Year and Date: 2010-09-18
• [Presentation] マルチスケールシミュレーションによるゲート酸化膜の絶縁信頼性予測 (2010)
  • Author(s): 坪井秀行
  • Organizer: 第71回応用物理学会学術講演会
  • Place of Presentation: 長崎大学
  • Year and Date: 2010-09-15
• [Presentation] Tight-Binding量子化学計算およびキネティックモンテカルロ法を用いたマルチスケール酸化膜絶縁信頼性予測シミュレータの開発 (2010)
  • Author(s): 坪井秀行
  • Organizer: 日本コンピュータ化学会2010年春季年会
  • Place of Presentation: 東京工業大学
  • Year and Date: 2010-05-21
• [Presentation] 自動化超高速化量子MD法によるシリコン酸窒化膜生成シミュレーション (2009)
  • Author(s): 坪井秀行
  • Organizer: 2009年秋季第70回応用物理学会学術講演会
  • Place of Presentation: 富山大学
  • Year and Date: 2009-09-10
• [Remarks]
  • URL: http://aki.niche.tohoku.ac.jp/