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Material simulation leading to the development of energy-saving next-generation power semiconductor

In an interview with the lecturer of the first Quloud-RSDFT workshop, Prof. Atsushi Oshiyama of Institute of Materials and Systems for Sustainability, Nagoya University, of whom the project adopted by the MEXT-sponsored [Program for Promoting Research on the supercomputer "Fugaku" ], he reports that the use of Fugaku and RSDFT calculations has provided important information on how to improve energy efficiency and create effective power semiconductors. Published on Monoist : Jul 05, 2023

The aim of the adopted project "Quantum Theory Multi-Simulation for Development of Energy-Saving Next-Generation Semiconductor Devices" was considering the fact that Japanese companies are losing market share in the global volatile semiconductor memory (DRAM) market, while domestic companies have a competitive in power semiconductor devices, and to contribute to the development of power semiconductors by utilizing computational science (simulation) in the development of new semiconductor materials such as SiC (silicon carbide) and GaN (gallium nitride), which have low power .

Prof. Oshiyama set the following three objectives for his research and used RSDFT calculations to achieve them.

[First, "to perform High Performance Computing (HPC) on Fugaku using quantum theory material computation applications to elucidate/predict scientific properties of next-generation energy-saving semiconductor materials, their device interfaces, and thin-film growth surfaces.

The second is "to predict the performance of energy-saving/power devices using a quantum theory device simulator, and to propose high-performance device designs by comparing the predictions with actual device experimental data.

The third is "to perform multi-scale quantum epitaxial thin film growth simulations that combine the elucidation of atomic reaction mechanisms by quantum theory HPC on the thin film growth surface and in the gas phase of the growth reactor with the temperature and partial pressure distribution by fluid simulation in the growth reactor, based on the local thermal equilibrium concept, to contribute to the development of high-quality thin film growth technology.] quoted from Monoist

The data obtained from this study provides clues to the development of an effective method for creating power semiconductors, enables the creation of multiple prototypes and thus contributes to cost reduction, and is useful for developing a method that does not incorporate unwanted elements that can be introduced during GaN crystal growth.

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