@article{32296, author = {Rachel Woods-Robinson and Yanbing Han and John S Mangum and Celeste L Melamed and Brian P Gorman and Apurva Mehta and Kristin A Persson and Andriy Zakutayev}, title = {Combinatorial Tuning of Structural and Optoelectronic Properties in Cu Zn1−S}, abstract = {

P-type transparent conductors (TCs) are important enabling materials for optoelectronics and photovoltaics, but their performance still lags behind n-type counterparts. Recently, semiconductor CuxZn1−xS has demonstrated potential as a p-type TC, but it remains unclear how properties vary with composition. Here, we investigate CuxZn1−xS across the entire alloy space (0 ≤ x ≤ 1) using combinatorial sputtering and high-throughput characterization. First, we find a metastable wurtzite alloy at an intermediate composition between cubic endpoint compounds, contrasting with solid solutions or cubic composites (ZnS:CuyS) from the literature. Second, structural transformations correlate with shifts in hole conductivity and absorption; specifically, conductivity increases at the wurtzite phase transformation (x ≈ 0.19). Third, conductivity and optical transparency are optimized within a "TC regime" of 0.10 < x < 0.40. This investigation reaffirms CuxZn1−xS as a promising, tunable, multifunctional semiconductor alloy, provides new insight into composition-dependent evolution of structure and properties, and informs future research into device applications.

}, year = {2019}, journal = {Matter}, volume = {1}, pages = {862 - 880}, month = {10/2019}, issn = {25902385}, doi = {10.1016/j.matt.2019.06.019}, language = {eng}, }