@article{CTT100932563, author = {Tianwei Wang and Nobuya Sato and Fumiyasu Oba}, title = {Surface reconstruction and band alignment of non-metallic spinel oxides from first principles}, journal = {Acta Materialia}, year = 2025, } @article{CTT100902908, author = {Tianwei Wang and Fumiyasu Oba}, title = {Slab surface passivation and its application to band offset calculations for polar heterointerfaces of zinc-blende semiconductors}, journal = {Physical Review Materials}, year = 2023, }