| Budget Amount *help |
¥18,330,000 (Direct Cost: ¥14,100,000、Indirect Cost: ¥4,230,000)
Fiscal Year 2018: ¥5,200,000 (Direct Cost: ¥4,000,000、Indirect Cost: ¥1,200,000)
Fiscal Year 2017: ¥5,200,000 (Direct Cost: ¥4,000,000、Indirect Cost: ¥1,200,000)
Fiscal Year 2016: ¥7,930,000 (Direct Cost: ¥6,100,000、Indirect Cost: ¥1,830,000)
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| Outline of Final Research Achievements |
Silicon carbide (SiC) is an attractive semiconductor material for applications in power electronic devices. The atomistic mechanism of the thermal oxidation of SiC is strongly required to fabricate a high-quality SiC/SiO2 interface. We have performed DFT calculations of SiC oxidation at finite temperature and found out several elementary oxidation processes including the formation of sp2-bonded carbon clusters near the SiC/SiO2 interface, which generate electrically active states in the SiC energy gap. In order to perform long-term simulations, a Si-O-C interatomic potential of the hybrid charge-transfer type has been developed by using our DFT calculations as the training data. Using this newly developed potential, we have performed large-scale SiC oxidation simulations at various temperatures and shown that the activation energy of the Si-face is much larger than that of the C-face, which is consistent with the experimental results.
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