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DOE OSTI2020

Materials Data on CaCuP by Materials Project

CaCuP crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent P3- atoms to form a mixture of edge, face, and corner-sharing CaP6 octahedra. The corner-sharing octahedral tilt angles are 45°. All Ca–P bond lengths are 3.05 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent P3- atoms. All Cu–P bond lengths are 2.33 Å. P3- is bonded in a 3-coordinate geometry to six equivalent Ca2+ and three equivalent Cu1+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Prediction and realisation of high mobility and degenerate p-type conductivity in CaCuP thin films

We synthesize air-stable, p-type CaCuP thin films with high hole concentration and high hole mobility as potential p-type transparent conductors. We study their optoelectronic properties in detail by advanced experimental and computational methods.

14 SOLAR ENERGY↗