A B S T R A C T The creations of photons in response to mechanical stimulus in a crystal that has noncentral symmetry are the great fundamental physics responsible for numbers of important technologies. The underlying mechanism and complete theory for a precise explanation of the mechanical-photonic energy conversion phenomena is vital important. We take commercial piezoelectric LiNbO3 matrics as the example to interpret the detail mechanisms of energy conversions for the photon-generation through a native point defects study. It was found the Frenkel and Schottky type complex pairs as well as the antisite pair defects acting as energy harvesting and migration centers, which are very easy to form and active. It does to be the extra deep electron or hole traps levels near the valence or conduction band edge, respectively. That is the substantial energy reduction via a spontaneous equilibrium transformation from the complementarily charged individuals into agglomerated complexes. Such energy gain for both two processes turns to be independent to the variations of synthesis chemical potentials. In addition, the complex defects actually form independent to the variations of the chemical potentials. This leads to a coupling and exchange effect by them to continuously collect and transport host charges along the path via localized states to the deep recombination levels. The initiating energy barrier is small which ambient thermal stimulation or quantum tunneling can accomplish. The native sensitizers such as VNb2O5, VLiNbO3, N bLi are also the energy conversion centers to non-radiative resonant energy transfer onto the activator center at the Oi to transfer the energy into photon emissions. A generalized energy conversion mechanism has been unraveled in this work. This gives a solid theoretical reference for developing the mechanical-photonic energy conversion materials.