Accurate Point Defect Energy Levels from Non-Empirical Screened Range-Separated Hybrid Functionals: The Case of Native Vacancies in ZnO
Published in Phys. Rev. Mater., 2025
Use Google Scholar for full citation
Publications
You can also find my articles on my Google Scholar profile.
Journal Articles
Ultrafast Spontaneous Exciton Dissociation via Phonon Emission in BiVO$_4$
Published in arXiv, 2025
Use Google Scholar for full citation
Excitations in Layered Materials from a Non-Empirical Wannier-localized Optimally-Tuned Screened Range-Separated Hybrid Functional
Published in npj Comput Mater, 2024
Use Google Scholar for full citation
Electronic Structure and Optical Properties of Halide Double Perovskites from a Wannier-localized Optimally-Tuned Screened Range-Separated Hybrid Functional
Published in Phys. Rev. Mater., 2024
Use Google Scholar for full citation
Optical Absorption Spectra of Metal Oxides from Time-Dependent Density Functional Theory and Many-Body Perturbation Theory Based on Optimally-Tuned Hybrid Functionals
Published in Phys. Rev. Mater., 2023
Use Google Scholar for full citation
Band Gaps of Halide Perovskites from a Wannier-localized Optimally Tuned Screened Range-Separated Hybrid Functional
Published in Phys. Rev. Materials, 2022
Use Google Scholar for full citation
Optimally Tuned Starting Point for Single-Shot $GW$ Calculations of Solids
Published in Phys. Rev. Materials, 2022
Use Google Scholar for full citation
Band Gaps of Crystalline Solids from Wannier-localization–Based Optimal Tuning of a Screened Range-Separated Hybrid Functional
Published in PNAS, 2021
Use Google Scholar for full citation
Tunable Tunnel Barriers in a Semiconductor via Ionization of Individual Atoms
Published in J. Phys.: Condens. Matter, 2021
Use Google Scholar for full citation