基于密度泛函理论计算，研究了四元高熵碳化物陶瓷(Hf_0.25Zr_0.25Ta_0.25Nb_0.25)C和相应二元金属碳化物体系AC(A=Hf, Zr, Ta, Nb)的电子结构和力学性能。通过高熵化合物的热力学分析可知，(Hf_0.25Zr_0.25Ta_0.25Nb_0.25)C可以形成单相的固溶体。从力学性能参数可以得到，计算得到的参数遵循混合规则，(Hf_0.25Zr_0.25Ta_0.25Nb_0.25)C的维氏硬度大于组成其的四种二元碳化物的平均值；由(Hf_0.25Zr_0.25Ta_0.25Nb_0.25)C的泊松比ν值及G/B值可知，其与二元碳化物相似，为脆性材料。通过分析电子结构，发现它们均为导体。四元高熵碳化物(Hf_0.25Zr_0.25Ta_0.25Nb_0.25)C表现出导电性有所增加，其共价键主要是由C-p和A-d(A=Hf, Zr, Ta, Nb)轨道电子杂化形成，由于碳化物中共存化学键的不均性，进一步改善了材料的力学性能。

The structure and performance relationship has attracted a great many of attentions. The electronic structure and mechanical properties of the quaternary high-entropy carbide ceramic (Hf_0.25Zr_0.25Ta_0.25Nb_0.25)C and binary metal carbide systems AC(A = Hf, Zr, Ta and Nb) are studied by density functional theory calculations. By analyzing the thermodynamic properties of high-entropy compounds, it is known that (Hf_0.25Zr_0.25Ta_0.25Nb_0.25)C can form a single-phase solid solution. It can be obtained from the mechanical performance parameters that the calculated parameters roughly obey the rule of mixture, the Vickers hardness of (Hf_0.25Zr_0.25Ta_0.25Nb_0.25)C is greater than the average value of the four binary carbides that compose it; the Poisson's ratio ν and G/B value of (Hf_0.25Zr_0.25Ta_0.25Nb_0.25)C show that it is a brittle material, similar to constituent binary carbides. By analyzing their electronic structure, it was found that they are all conductors. The quaternary high-entropy carbides (Hf_0.25Zr_0.25Ta_0.25Nb_0.25)C shows an increase in conductivity, its existence covalent bonds are mainly composed of the orbital hybridization formation of C-p and A-d (A = Hf, Zr, Ta and Nb), due to the heterogeneity of coexisting chemical bonds in carbides, the mechanical properties of the material is further improved.