Summary of Research Project Results under JSPS FY2001
"Research for the Future Program"

1.Research Institution Gakushuin University
2.Research Area Physical and Engineering Sciences
3.Research Field Atomic-scale Surface and Interface Dynamics
4.Term of Project FY 1997 〜 FY 2001
5.Project Number 97P00201
6.Title of Project Dynamic Behavior of Grown Surface and Interface, and Atomic Scale Simulation

7.Project Leader
Name Institution,Department Title of Position
Tosiharu Irisawa Gakushuin University, Computer Center Professor

8.Core Members

Names Institution,Department Title of Position
Makio Uwaha Nagoya University, Graduate School of Science Associate Professor
Akinori Koukitsu Tokyo University of Agriculture and Technology, Faculty of Technology Professor
Naohisa Inoue Osaka Prefecture University, Research Institute for Advanced Science and Technology Professor

9.Summary of Research Results

 Dynamics and atomic-scale simulations of growth surfaces and interfaces were studied with collaborations between theoretical and experimental groups. To extend the range and accuracy of crystal growth theory, the theoretical groups developed a statistical crystal growth theory and made large-scale simulations. The experimental groups did experiments to discover new phenomenon and to develop new measuring devices with the aim of upgrading crystal characterization technology. To understand cooperative phenomena in crystal growth, experimental results and first-principle calculations were used to model various phenomena while retaining their important physical features. Furthermore, our advances in experimental methods are important for testing theory.
 Our group used statistical mechanics and phenomenology to develop a technique that accurately obtains various physical quantities from an atomic-level model. For GaN thick-film preparation by heteroepitaxial growth on GaAs substrates, a commercialized technique was developed with help from this first-principle calculation. We also established a measurement and evaluation technology for a type of microdefect in silicon. This technique helped improve international standardization in the internationally competitive silicon industry.
 We summarize results of the following five subjects (A − E) that help clarify atomic dynamics in crystal surfaces and interfaces. These were obtained through collaboration between theoretical and experimental groups. A: Establishment of a statistical mechanical theory for the formation of surface structure. B: Elucidation of step motion and growth pattern control. C: Heteroepitaxy and nucleation processes. D: Surface reactions and growth control. E: Analysis of interface reactions in a concentrated environment.

10.Key Words

(1)Crystal Growth、(2)Statistical mechanics、(3)Simulation
(4)Step Dynamics、(5)First-principle calculation、(6)Heteroepitaxial growth
(7)Surface-reaction process、(8)Solid-Liquid Interface、(9)Microdefect