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Computational Study toward Micro Electronics Engineering

Kenji Shiraishi

Institute of Materials and Systems for Sustainability, Nagoya University, Nagoya 464-8601, Japan

Due to the remarkable progress of computational sciences including first principles calculations, we can predict the physical properties of new materials and device characteristics by theoretical calculations. For example, we can well reproduce surface reconstructions at the atomistic level [1], and we can predict the importance of oxygen vacancies in high-k HfO₂ oxide dielectrics [2] based on the first principles calculations. Actually, first principles calculations are treated as crucial tool for designing future micro-electronic engineering in the present days.

In this presentation, we will show the new scientific findings which gives great insight to modern micro electronics engineering by showing some recent our activities given by first principles calculations. We discuss the importance of computational sciences for developing future micro electronics devices by showing the example of successful results of first principles calculations such as design of high-k LSI, operation mechanisms of modern memory devices including charge trap memories (MONOS) and resistance random access memories (ReRAM).

[1] Z. Zhu, N. Shima, and M. Tsukada, Phys. Rev. B 40, 11868 (1989).

[2] K. Shiraishi, et al., Jpn. J. Appl. Phys. 43 L1413 (2004).

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Birth date and place: September 29, 1959, Kanagawa, Japan

Nationality: Japan

Education:

The University of Tokyo,  1988   Doctor of Science,  Physics

The Univesity of Toskyo,  1985   Master of Science,  Physics

The University of Tokyo,  1983   B.E.,   Physics

Professional Experiences:

2015-present  Professor, Institute of Materials and Systems for Sustainability

2013-2015    Professor, Graduate School of Engineering, Nagoya University

2007- 2013    Professor,  Gracuate School of Pure and Applied Physics,

                      University of Tsukuba

2004 – 2007   Associate Professor, Gracuate School of Pure and Applied Physics,

                      University of Tsukuba

2001 – 2004      Associate Professor, Department of Physics

               University of Tsukuba

1992 – 2000      Senior Research Scientist, Basic Research Laboratories, NTT Corp.

1988 – 1991      Research Scientist, Basic Research Laboratories, NTT Corp.

Theoretical research on semiconductor surfaces

Theoretical research on semiconductor epitaxial growth

Theoretical research on nano-materials

Theoretical research on Si thermal oxidation

Theoretical research on High-k gate insulator

Thoretical research on interface physics

Theoretical research on physiolocical function of bio-material

Research on device physics.

Honors

2015         Fellow, Japanese Society of Applied Physics

2010         Fellow, Surface Science Society of Japan

2007                JSAP Award for the best paper

2007                 IEEE Senior Member

2004          Selete Achievement Award

2000                        JSAP Award for the best paper

1997         MRS Award for the best poster paper

Biography:

Kenji Shiraishi received the B.E., Master and Doctor. degrees in physics from the University of Tokyo and worked in the research of sciene and technology of semiconductors for 13 years in NTT and 13 years at University of Tsukuba.  He is now a Professor of Institute of Materials and Systems for Sustainability, University of Tsukuba, Tsukuba, Japan. Since joining NTT, he has developed new physical concepts of surfaces, interfaces and nano-structures of semiconductors.  He has also been engaged in research on device physics and bio-science.  He has authored and coauthored more than 200 papers. 

His awards include JSAP Award for the best paper (2000, 2007) and Selete Achievement Award. 

His current research interests are Physics of Nano CMOS, High–k gate insulator, Si Nanowire MOSFETs, Bio-Materials, and Epitaxial Growth of Nitride Semiconductor.

Dr. Shiraishi is, a Senior member of IEEE, a member of Electrochemical Society, a Fellow member of the Japan Society Applied Physics, a member of Material Research Society, a member of Physical Society of Japan, and a Fellow member of Surface Science Society of Japan.

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Large-scale density-functional calculations in real space scheme and its application to surfaces, interfaces and two-dimensional materials
Atsushi Oshiyama
Institute of Materials and Systems for Sustainability, Nagoya University
Furo-cho, Chikusa-ku, Nagoya 464-8601, Japan
Facing current and future massively parallel architecture of supercomputers, we need to make close collaboration between the fields of physical science and computer science. Such collaboration we name COMPUTICS is already in progress (http://computics-material.jp/index-e.html). I here explain an example of such collaboration which allows us to perform total-energy electronic-structure calculations based on the density-functional theory (DFT) in the real-space scheme for tens-of-thousands-atom systems and also the real-space Car-Parrinello Molecular Dynamics simulations for thousands-of-atom systems. I first explain how we are able to perform such large-scale computations efficiently in our code named RSDFT. Recent development of the device simulation combined with the non-equilibrium Green’s function (NEGF) method and its application to Si nanowire MOSFETs are also reported.
As examples of the application to materials science, I will discuss (1) the localization of Dirac electrons induced by moire pattern in twisted bilayer graphene, (2) intrinsic carrier traps near SiC/SiO2 interfaces, (3) ammonia decomposition and N incorporation on epitaxially grown GaN films, and possibly (4) the formation of amorphous systems with thousands of atoms.
In collaboration with J.-I Iwata (Advance Soft), D. Takahashi (U Tsukuba), G. Milnikov (Osaka U), N. Mori (Osaka U), K. Uchida (Kyoto Inst Tech), Y.-i. Matsushita (Tokyo Inst Tech), K. M. Bui (Nagoya U), M. Boero (Strasbourg U), and K. Shiraishi (Nagoya U).

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Curriculum Vitae
Atsushi Oshiyama
Designated Professor, Nagoya University
Institute of Materials and Systems for Sustainability
Furo-cho, Chikusa-ku, Nagoya 464-8601, Japan
Phone: +81-52-789-3716
Email: oshiyama@imass.nagoya-u.ac.jp
Homepage: http://ccs.engg.nagoya-u.ac.jp/oshiyama/
Personal Data
Born November 9, 1952, in Kofu, Japan; married with two children
Education
The University of Tokyo, Ph. D. in Physics, 1981
The University of Tokyo, MS in Physics, 1978
The University of Tokyo, BS in Physics, 1976
Scientific Career
• Designated Professor, Institute of Materials and Systems for Sustainability, Nagoya University, 2017 – present
• Professor Emeritus, The University of Tokyo, 2018 – present
• Professor Emeritus, University of Tsukuba, 2008 – present
• Professor, The University of Tokyo (Department of Applied Physics), 2007 – 2018
• Professor, University of Tsukuba (Institute of Physics), 1995 – 2007
• Principal Scientist, NEC Corporation (Fundamental Research Laboratory & Microelectronics Research Laboratory), 1984 – 1995
• Researcher, IBM Watson Research Center, 1983 – 1984
• Research Associate, The University of Tokyo (Department of Physics), 1981 – 1983
• Visiting Professors at Hokｋaido University (1992-1993), Tohoku University (1999-2000)
• Visiting Researcher, National Institute of Advanced Industrial Science and Technology (AIST), 2001 - 2005
Principal Research Interests
Theoretical and computational condensed matter science: electronic and structural properties of solids, surfaces, interfaces and defects inherent to the systems; correlation between atomic structures and electronic properties in nano-materials and nano-structures; electronic properties of two-dimensional materials such as graphene, silicene etc; mechanism of thin-film growth and interface formation in technologically important device structures; computational science approach (computics) toward the progress in materials science.
Scholarly Contributions
• More than 380 scientific publications with an h-index of 47 (ISI Web of Science) as of April 2019 (h-index of 52 on Google Scholar). Most frequently cited 10 publications (Web of Science and in parentheses Google Scholar):
1. N. Hamada, S. Sawada and A Oshiyama, ``New One-Dimensional Conductors:
Graphitic