Given the developmental program outlined in United Nations Sustainable Development Goal 15 (Life on Land) and the to effectively address the challenge of biodiversity decline while mitigating the adverse effects of climate change, particularly drought, on terrestrial forest ecosystems, a fundamental reorientation of global forest restoration paradigms is warranted. It is imperative to move beyond a narrow emphasis on expanding forest area and instead prioritize the enhancement of biodiversity and functional attributes within these ecosystems. However, the differential response mechanisms of forest ecosystem functional communities and main plant functional types (PFTs) to environmental factors, especially soil and topography, remains unclear, especially at plant level. Here, we divided the functional communities of 93 sites in the study area into seven groups through Two‐way indicator species analysis (TWINSPAN), and studied the different functional communities, namely dynamic succession, species richness, and PFT compositional differences. We also analyzed the various PFTs and functional community response mechanisms to soil and topographic factors using canonical correspondence analysis (CCA). The main results were as follows: (1) With the successional stages of PFTs, vegetation diversity across multiple functional communities inceased, tree and shrub proportions and importance increased, while herbs decreased. (2) From the arid and barren areas (i.e., G2), to the humid and fertile areas (i.e., G6 and G7), various compositional PFT differences, and their responses to soil and topographic factors, were found, namely, xerophytic, annual and biennial species gradually changed to mesophytic, hygrophytic, and perennial species (richness increased 6.94 ~ 27.33%, important value (IV) increased 8.73 ~ 29.45%) for shrubs and herbs. (3) Functional communities in various successional stages display distinct sensitivities to soil and topographic factors, as evidenced by a notable increase in the richness and IV of deciduous broad‐leaved tree species, rendering their communities more responsive to SOC and AS, whereas evergreen coniferous trees (e.g., Pinus tabuliformis Carr.) were sensitive to altitude (AL) and exhibited a tendency to transition from plantations to natural secondary forests predominantly at higher altitudes (above 1200 m). Our findings suggest that site conditions influence scenarios, and that different PFT responses and adjustments to soil and topography factors affect whole functional community dynamic succession processes, which can profoundly impact forest ecosystem function predictions based on PFT changes in the Loess Plateau of China.