| Budget Amount *help |
¥23,920,000 (Direct Cost: ¥18,400,000、Indirect Cost: ¥5,520,000)
Fiscal Year 2017: ¥7,800,000 (Direct Cost: ¥6,000,000、Indirect Cost: ¥1,800,000)
Fiscal Year 2016: ¥7,800,000 (Direct Cost: ¥6,000,000、Indirect Cost: ¥1,800,000)
Fiscal Year 2015: ¥8,320,000 (Direct Cost: ¥6,400,000、Indirect Cost: ¥1,920,000)
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| Outline of Final Research Achievements |
Thanks to the progress on the computer power and first-principles calculation techniques, it becomes possible to seek for new materials from first-principles calculations nowadays. As a result, computational material databases have been continuously developed by some groups in the world in the past decade. Such databases are very useful for discovering novel materials. However, discovery of new semiconductors with such databases was difficult in general because physical properties related to semiconductor applications are widespread, and some of them are difficult or even impossible to calculate from first-principles. Therefore, in this study, we have developed theory, calculation techniques and programs that are indispensable for discovering semiconductor materials from first-principles calculations.
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