Thin films of rare-earth (RE)–oxygen–hydrogen
compounds
prepared by reactive magnetron sputtering show a unique color-neutral
photochromic effect at ambient conditions. While their optical properties
have been studied extensively, the understanding of the relationship
between photochromism, chemical composition, and structure is limited.
Here we establish a ternary RE–O–H composition-phase
diagram based on chemical composition analysis by a combination of
Rutherford backscattering and elastic recoil detection. The photochromic
films are identified as oxyhydrides with a wide composition range
described by the formula REOxH3–2x where 0.5 ≤ x ≤ 1.5. We propose an anion-disordered structure
model based on the face-centered cubic unit cell where the O2– and H– anions occupy tetrahedral and octahedral
interstices. The optical band gap varies continuously with the anion
ratio, demonstrating the potential of band gap tuning for reversible
optical switching applications.