With the deep integration of artificial intelligence (AI) into education, AI literacy has emerged as a core competency indispensable for pre-service teachers. However, the formation mechanisms and sustainable cultivation pathways remain underexplored. This study integrates the Technology Acceptance Model (TAM) and the Innovation Diffusion Theory (IDT) to construct a theoretical model where Individual Innovations (II) and Self-Efficacy (SE) serve as antecedents, Perceived Usefulness (PU) and Perceived Ease of Use (PEOU) as mediators, Behavior Intention (BI) as a proximal variable, and AI literacy (AIL) as the outcome variable. Through a questionnaire survey of 778 pre-service teachers, mixed empirical tests were conducted using Structural Equation Modeling (SEM) and fuzzy-set Qualitative Comparative Analysis (fsQCA). SEM results indicate that II and SE significantly and positively influence AIL through a chain mediation involving PE, PEOU, and BI. fsQCA further identifies four convergent high-AIL configurational pathways: "High-efficacy-practice-oriented" "High-adoption-intention-oriented" "High-innovative-qualities-oriented" and "Balanced-development-oriented". The study reveals that enhancing pre-service teachers' AIL involves diverse yet equivalent mechanisms, necessitating a shift beyond singular training paradigms. Based on these findings, the research proposes differentiated cultivation pathways, providing both theoretical foundations and practical references for teacher-training institutions to implement precise and sustainable AIL development.