Soungmin Bae

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cond-mat.mtrl-sci2025

Machine Learning Prediction of Charged Defect Formation Energies from Crystal Structures

Shin Kiyohara, Chisa Shibui, Soungmin Bae +1

Recent advances in materials informatics have expanded the number of synthesizable materials. However, screening promising candidates, such as semiconductors, based on defect prope…

cond-mat.mtrl-sci2024

Native defects and $p$ -type dopability in transparent $I^^{2}$ -TeO $_{2}$ : A first-principles study

Vu Thi Ngoc Huyen, Soungmin Bae, Rafael Costa-Amaral +1

Although $I^^{2}$ -TeO $_{2}$ is a promising $p$ -type transparent conducting oxide (TCO) due to the large optical gap ( $\sim$ 3.7 eV) and a light effective hole mass, its hole dopability s…

Machine Learning Prediction of Charged Defect Formation Energies from Crystal Structures

Native defects and p-type dopability in transparent I^2-TeO2​: A first-principles study

Native defects and $p$ -type dopability in transparent $I^^{2}$ -TeO $_{2}$ : A first-principles study