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Sn diffusion in GaN - DFT data

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DataCite Commons2026-04-30 更新2026-05-04 收录
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https://repod.icm.edu.pl/citation?persistentId=doi:10.18150/XLEBHV
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资源简介:
This dataset contains first-principles (DFT) data on tin-related defects in GaN. It includes calculated formation energies of SnGa, VGa, SnGa-VGa complexes, minimum energy paths obtained using the nudged elastic band method, and temperature-dependent effective migration barriers derived from phonon calculations.Detailed information about file structure, calculation methods, and data interpretation is provided in the accompanying README file.
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RepOD
创建时间:
2026-04-30
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