A facile route to realize p-type ZnO thin films via Li–F codoping: Experiments and theory

We report on p-type Li–F codoped ZnO [ZnO:(Li,F)] thin films prepared by pulsed laser deposition. The effects of substrate temperature on the structural and electrical properties of the films are investigated in detail. Secondary ion mass spectroscopy measurements confirm that Li and F have been incorporated into the films. We obtain an acceptable p-type conduction for the film grown at 550 °C, which is further confirmed by a rectifying ZnO:(Li,F)/ZnO homojunction. The formation mechanism of p-type conduction might be closely related to the presence of the LiZn–FO–LiZn complex, which preferably occupy the nearest-neighbor sites based on the first-principles calculations.

► We report a facile route to realize p-type ZnO thin films via Li–F codoping.
► SIMS measurements confirm that Li and F have been incorporated into the films.
► The formation mechanism of p-type conduction might be due to the presence of the LiZn–FO–LiZn complex.
► The LiZn–FO–LiZn complex which occupies the nearest-neighbor sites is energetically favorable.
► This approach is expected as an ideal candidate in producing applications in optoelectronic devices.