【摘要】 在固体与分子经验电子理论(EET)框架下,利用键距差(BLD)方法,选取可能的一种碳化硼晶体结构作为计算模型。计算得到符合EET理论判据的碳化硼晶体的价键电子结构。基于价键电子结构讨论了碳化硼电子结构与性能的关系。更多还原

【Abstract】 Under the framework of empirical electronic theory of solid and molecular(EET),one kind structural model of B4C was selected.Then the electronic bond structure was calculated by using bond length different method(BLD).The theoretical result coincides with the theory criteria well.Based on the electronic structure obtained,the relationship between structure and property is discussed.更多还原