Online tools for computational materials research.
Calculate self-consistent Fermi levels, defect and carrier concentrations, including growth-temperature freeze-in and chemical-potential scans. Includes a Cl-doped ZnO example. Calculations run in your browser.
Open defconchem →Explore chemical-potential stability regions and select growth conditions for defect calculations.
Open app ↗Plot defect formation energies and charge-transition levels, and export figures.
Open app ↗Plot band edge position with respect to vacuum and align with multiple materials
Open app ↗