| Project/Area Number |
18K04957
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Multi-year Fund |
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| Section | 一般 |
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| Review Section |
Basic Section 30010:Crystal engineering-related
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| Research Institution | Mie University |
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Principal Investigator |
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| Project Period (FY) |
2018-04-01 – 2021-03-31
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| Project Status |
Completed (Fiscal Year 2020)
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| Budget Amount *help |
¥4,420,000 (Direct Cost: ¥3,400,000、Indirect Cost: ¥1,020,000)
Fiscal Year 2020: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2019: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2018: ¥2,860,000 (Direct Cost: ¥2,200,000、Indirect Cost: ¥660,000)
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| Keywords | 窒化ガリウム / 第一原理計算 / 不純物 / OVPE成長 / 結晶成長 |
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| Outline of Final Research Achievements |
We carried out first-principles calculations to clarify the GaN crystal growth mechanism in OVPE method. First, we examined O adsorption and desorption on the GaN surface with kink, step, and terrace structures and found that O and OH hardly desorbs from the GaN surface. Second, we simulated surface reconstruction on the polar, nonpolar, and semi-polar surface. The relationships of stable surface orientations and surface structures with the growth conditions of Ga pressure and temperature were examined. It was shown that as the Ga partial pressure increases, the (1-101) reconstructed surface with O impurity is more likely to appear, so that the amount of O impurities also increase.
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| Academic Significance and Societal Importance of the Research Achievements |
本研究により明らかになったGaN結晶表面におけるO不純物の吸着・脱離反応やその際にエネルギーの評価、また各面方位における表面生成エネルギーの絶対値を比較することで明らかにした成長条件と安定な面方位および表面構造との関係は、高品質かつ安価なGaN基板用のバルクGaN結晶成長法として期待されているOVPE法における結晶品質と不純物濃度制御の改善に貢献することが期待される。また、本研究を通して習得した手法はGaNにおける他の不純物に関する解析や、仮定する成長条件を変えることで様々な成長条件における安定な面方位や結晶形状の予測に応用することが出来る。
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