Background: Large-scale afforestation can significantly change the ground cover and soil physicochemical properties, especially the soil fertility maintenance and water conservation functions of artificial forests are very important in semi-arid mountain ecosystems. However, how different tree growth affect soil nutrient and soil physicochemical properties following afforestation and which is the best plantation tree species for improving soil fertility and water conservation functions remain largely unknown. Methods: This study investigated the soil nutrient contents of three plantations with different tree species (Larix principis-rupprechtii, Picea crassifolia, Pinus tabuliformis), soils and plant-soil feedbacks, as well as the interaction between soil physicochemical properties. Results: The results revealed that the leaf and litter layer strongly influence soil nutrient availability through biogeochemical processes: P. tabuliformis has higher organic carbon, ratio of organic carbon to total nitrogen (C:N) and organic carbon to total phosphorus (C:P) in the leaves and litter layer than L. principis-rupprechtii or P. crassifolia, suggesting that higher C:N and C:P hinder litter decomposition. As a result, the L. principis-rupprechtii and P. crassifolia plantation forests significantly improve soil nutrients and clay components than the P. tabuliformis plantation forest. Furthermore, the L. principis-rupprechtii and P. crassifolia plantation forests significantly improved the soil capacity, soil total porosity, and capillary porosity, decreased soil bulk density, and enhanced water storage capacity than the P. tabuliformis plantation forest. In conclusion, the results of this study showed that the strong link between plants and soil is tightly coupled to C:N and C:P, and there had a close correlation between soil particle size distribution and soil physicochemical properties. Conclusions: Therefore, our results recommend planting the L. principis-rupprechtii and P. crassifolia as the preferred tree species to enhance the soil fertility and water conservation functions, especially in semi-arid regions mountain forest ecosystems.