Positive effects of plant diversity on productivity have been globally demonstrated and explained by two main effects: complementarity effects and selection effects. However, plant diversity experiments have shown substantial variation in these effects, with driving factors poorly understood. On the basis of a meta-analysis of 452 experiments across the globe, we show that productivity increases on average by 15.2% from monocultures to species mixtures with an average species richness of 2.6; net biodiversity effects are stronger in grassland and forest experiments and weaker in container, cropland and aquatic ecosystems. Of the net biodiversity effects, complementarity effects and selection effects contribute 65.6% and 34.4%, respectively. Complementarity effects increase with phylogenetic diversity, the mixing of nitrogen-fixing and non-nitrogen-fixing species and the functional diversity of leaf nitrogen contents, which indicate the key roles of niche partitioning, biotic feedback and abiotic facilitation in complementarity effects. More positive selection effects occur with higher species biomass inequality in their monocultures. Complementarity effects increase over time, whereas selection effects decrease over time, and they remain consistent across global variations in climates. Our results provide key insights into understanding global variations in plant diversity effects on productivity and underscore the importance of integrating both complementarity and selection effects into strategies for biodiversity conservation and ecological restoration.