A bulk of research has shown strong relationships between metacognition, creative thinking, autonomy support, and self‐efficacy among teachers. However, we could not find research with a large sample of teachers exploring the mediating effects of creative thinking and metacognition on the relationship between autonomy support and self‐efficacy. A need for a novel structural equation model (Covariance‐based) underlying psychological rationality of said relationships was deemed actual. To that end, firstly the effects of teachers' autonomy support (opportunity and decision‐making) on teachers' creative thinking, metacognition, and self‐efficacy were tested. Then, the mediating effects of metacognition and creative thinking on the relationship between teachers' autonomy support and teachers' self‐efficacy were explored. A simple random‐sampling method was utilized to gather 787 teachers' data. The results revealed that decision‐making and autonomy opportunity predicted creative thinking, metacognition, and self‐efficacy positively and meaningfully. Subsequently, creative thinking as well as metacognition had mediating effects on the effects of autonomy opportunity and decision‐making on self‐efficacy. In closing, for boosting teachers' skills in autonomy support and self‐efficacy, attention should be given to fostering their creative thinking as well as metacognition. The study provides implications and suggestions for research on school psychology and improvement.