Designing transparent conductors using forbidden optical transitions

Stability and synthesis across barium tin sulfide material space

“…6, the computed optical absorption spectra is plotted for a representative set of Ba–Sn–S compounds. Rainbow shading corresponds the visible spectrum (“vis.”), and the E G , E d G , and direct allowed gap ( E da G ; a proxy for absorption edge, as defined elsewhere 34,45 ) are depicted with dotted lines. Computed absorption coefficient α is plotted as a function of photon energy.…”