Simulation and growing study of Cu-Al-S thin films deposited by atomic layer deposition

In this paper, we have explored the potential of Cu-Al-S compounds as p-type transparent conducting material by means of atomistic simulation using CuAlS2 as a reference ternary compound and atomic layer deposition (ALD) growth. We have identified key intrinsic point defects acting either as shallow acceptor or deep donor which define the conductivity of CuAlS2. Higher p-type conductivity was found to be achievable under metal-poor and chalcogen-rich growth conditions. According to this precept, ALD growth of CuxAlySz was attempted using Cu(acac)2 and Al(CH3)3 as precursors for Cu and Al respectively and under H2S atmosphere. While as grown thin films present low content of Al, it influences the band gap values as well as the obtained structures.