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[Analysis Case] Electronic State Evaluation of Wide Bandgap Semiconductor Dopant Site Identification

Evaluation of microscopic atomic structures is possible through computational simulation.

β-Ga2O3 has a wide band gap and is expected to be a promising material for next-generation power devices and oxide semiconductors in terms of excellent power transmission efficiency and cost reduction. In recent years, it has been reported that β-Ga2O3 can be n-doped with Si or Sn. In this study, we conducted structural optimization calculations for models of β-Ga2O3 doped with Si or Sn and evaluated which sites each dopant is more likely to occupy in the crystal. Subsequently, we calculated the density of states from the obtained structural models and investigated the changes in electronic states due to doping.

• Company：一般財団法人材料科学技術振興財団　MST
• Price：Other

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