三元运算
材料科学
最大相位
从头算
结晶学
体积模量
价电子
联轴节(管道)
凝聚态物理
碳化物
物理
电子
量子力学
冶金
化学
计算机科学
程序设计语言
作者
Zhimei Sun,Denis Mušić,Rajeev Ahuja,Sa Li,Jochen M. Schneider
标识
DOI:10.1103/physrevb.70.092102
摘要
We have investigated the elastic properties of nanolayered ${\mathrm{M}}_{2}\mathrm{AC}$, with $\mathrm{M}=\mathrm{Ti}$, Zr, Hf, V, Nb, Ta, Cr, Mo, W and $\mathrm{A}=\mathrm{Al}$, Ga, Ge, Sn, by ab initio calculations. We suggest that ${\mathrm{M}}_{2}\mathrm{AC}$ can be classified into two groups: One where the bulk modulus of the binary MC is conserved and another group where the bulk modulus is decreased. This classification can be understood in terms of coupling between MC and A layers, which is defined by the valence electron population. These results may have implications for the understanding of properties and the performance of this class of solids.
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