The interplay of ecosystem services plays a crucial role in the integrated development of the economy, society, and environment. This research focuses on the Hotan region in Xinjiang as its subject of study. By employing the InVEST model, the coupling coordination degree model, GeoDetector, and fuzzy set qualitative comparative analysis method (fsQCA), this study assesses the values of four pivotal ecosystem services: carbon sequestration, soil conservation, water resource protection, and habitat provision in 2020. Furthermore, it analyzes the degree of coupling and coordination among these types of ecosystem services and their trends, investigates the driving factors and mechanisms behind service integration, and discerns spatial heterogeneity based on differential land-use patterns and intensities. The findings of this study are as follows. Firstly, it is revealed that the overall degree of ecosystem service coupling coordination is low, and the spatial heterogeneity is characterized by the mode and degree of differential land use. Second, the GeoDetector analysis identifies the main factors influencing the development of ecosystem services coupling, underscoring the augmentation of pairwise interactions. Specifically, the GeoDetector model shows that in a single factor, average temperature per unit area, average rainfall per unit area, topographic fluctuation, and livestock size dominate the coupled development of ecosystem services. In addition, the two-way interactions between all factors have a significantly enhanced effect compared to the dominant role of a single factor. Thirdly, the result of the fsQCA analysis shows that there are 5 effective multivariate conditional configurations, which are caused by natural factors, human factors, and the joint action of natural and human factors. Furthermore, three differentiated configuration paths have been sorted out. These paths emphasize the heterogeneous combination of differences in the six different antecedent variables, enabling the full realization of the coupling development of ecosystem services. The combination of the GeoDetector method and fsQCA method provides a comprehensive and innovative approach to exploring the driving factors of ecosystem service coupling and deciphering the driving mechanisms. Through the effective combination of the two methods, the driving factors and specific action mechanisms that lead to the coupling development of ecosystem services can be deeply analyzed. The results of this paper show that in order to achieve the goal of scientific and fine management of ecosystem services, attention should not only be paid to the dominant role of the single factors but also to the interactive effects of two factors simultaneously. At the same time, the synergistic effects of multiple dimension factors should be considered to promote the coupling of ecosystem services, so as to achieve continuous optimization, and finally achieve the goal of sustainable development of ecosystem.