@article{8805, author = {D. Chaykina and I. Usman and G. Colombi and H. Schreuders and B. Tyburska-Pueschel and Z. Wu and S.W. H. Eijt and L.J. Bannenberg and G.A. de Wijs and B. Dam}, title = {Aliovalent Calcium Doping of Yttrium Oxyhydride Thin Films and Implications for Photochromism}, abstract = {To develop an understanding of the photochromic effect in rare-earth metal oxyhydride thin films (REH3–2xOx, here RE = Y), we explore the aliovalent doping of the RE cation. We prepared Ca-doped yttrium oxyhydride thin films ((CazY1–z)HxOy) by reactive magnetron cosputtering with Ca doping concentrations between 0 and 36 at. %. All of the films are semiconductors with a constant optical band gap for Ca content below 15%, while the band gap expands for compositions above 15%. Ca doping affects the photochromic properties, resulting in (1) a lower photochromic contrast, likely due to a lower H– concentration, and (2) a faster bleaching speed, caused by a higher pre-exponential factor. Overall, these results point to the importance of the H– concentration for the formation of a “darkened” phase and the local rearrangement of these H– for the kinetics of the process. }, year = {2022}, journal = {Journal of Physical Chemistry C}, volume = {126}, pages = {14742–14749}, month = {09/2022}, doi = {10.1021/acs.jpcc.2c04456}, language = {eng}, }