The interaction between lithium acceptors and gallium donors in zinc oxide

Diffusion of lithium (Li) in uniformly gallium (Ga)-doped monocrystalline bulk zinc oxide (ZnO) is studied over a wide temperature range (500–1150 ° C) and is demonstrated to be dictated by the distribution of Ga. Below 800 ° C, the indiffusion of Li from a Li-doped ZnO sputtered film into n + single crystalline ZnO yields an abrupt and compensated Li-doped box region with the Li concentration matching the free-electron concentration, in accordance with several previous experimental and theoretical reports. However, experimental observations of Li-diffusion at higher temperatures reveal a dissociative diffusion mechanism for heat treatments up to 1150 ° C. By employing a reaction-diffusion model that includes both Li and Ga, a dissociation energy of 4.6 eV is obtained from the experimental Li diffusion data. This is in excellent agreement with theoretical results for the dissociation of ( Li Zn Ga Zn ) 0 ( 4.8 eV) into Li i + and (Ga ZnV Zn ) − and suggests that this neutral and stable acceptor-donor pair...