Mechanical, electronic, and thermodynamic properties of zirconium carbide from first-principles calculations - 杨晓勇 鲁勇 郑法伟 张平 (Chinese physics B, 2015)
Keywords: Bulk modulus; Chemical bonds; Dispersions; Electronics; Mathematical analysis; Phonons; Zirconium; Zirconium carbides; 体积弹性模量; 原子转移; 机械; 温度依赖性; 热力学性质; 电子能带结构; 碳化锆; 第一性原理计算