The study aims to investigate the skin microbiome composition of Yaks and the effects of different dietary nutrient levels on the skin microbiome diversity and metabolites. A total of 19 healthy Tianzhu White Yaks at two age stages (2.5 and 4.5 years old) were selected and fed either a high-energy diet (n = 9) or a low-energy diet (n = 10). After 90 days of feeding, skin microbiota and skin tissue metabolites were detected using 16S rRNA sequencing and LC-MS/MS untargeted metabolomics, respectively. The results showed: (1) the phyla Firmicutes, Actinobacteriota, Proteobacteria, and Bacteroidetes exhibited relatively high abundances in the skin of yaks, and the total abundance of these four phyla reached as high as 99.3%. Alpha diversity analysis indicated that the alpha diversity index of yak skin microbiota was significantly higher (p < 0.05) in the low-energy nutritional level group than in the high-energy nutritional level group in yaks of both 2.5 and 4.5 years of age. Principal coordinate analysis (PCoA) revealed a distinct separation of all skin microbiota samples into two clusters: the high-energy (H) and low-energy (L) groups. (2) A total of 114 differentially expressed metabolites were screened across both groups, significantly enriched (p < 0.05) in pathways including synaptic vesicle trafficking and glycerophospholipid metabolism; (3) Correlation analysis between microbiota and metabolites revealed significant positive correlations (p < 0.01) between Psychrobacter and choline, and between Corynebacterium and palmitic acid. In conclusion, A low-energy diet increases skin microbial diversity, which is beneficial for maintaining community stability; In contrast, a high-energy diet enriches bacterial genera such as Corynebacterium and Psychrobacter, enhancing functions related to antibacterial activity and barrier protection.