n. supercell
misc. super-cell
材料导报网-Fe辐照形成点缺陷的初步评估 关键词 第一性原理 点缺陷 超晶胞 [gap=485]Key words first-principle method，monovacancy，supercell
基于210个网页-相关网页
The total density of states, partial density of states, band structure, and valance electron charge density contours has been shown. In this paper, three supercell models are compared with each other simply.
给出了其结构——总体态密度与分波态密度、电荷密度分布以及能带结构等,并对三种超晶胞模型进行了简要对比研究。
参考来源 - 锂离子电池正极材料LiCoO·2,447,543篇论文数据，部分数据来源于NoteExpress
应用推荐