四方晶系
库仑
格子(音乐)
相图
超晶格
凝聚态物理
物理
材料科学
结晶学
晶体结构
相(物质)
化学
电子
量子力学
声学
作者
Khang Hoang,Keyur Desai,S. D. Mahanti
标识
DOI:10.1103/physrevb.72.064102
摘要
The compositional ordering of Ag, Pb, Sb, Te ions in ${(\mathrm{Ag}\mathrm{Sb}{\mathrm{Te}}_{2})}_{x}{(\mathrm{Pb}\mathrm{Te})}_{2(1\ensuremath{-}x)}$ systems possessing a NaCl structure is studied using a Coulomb lattice gas (CLG) model on a face-centered cubic (fcc) lattice and Monte Carlo simulations. Our results show different possible microstructural orderings. Ordered superlattice structures formed out of $\mathrm{Ag}\mathrm{Sb}{\mathrm{Te}}_{2}$ layers separated by ${\mathrm{Pb}}_{2}{\mathrm{Te}}_{2}$ layers are observed for a large range of $x$ values. For $x=0.5$, we see an array of tubular structures formed by $\mathrm{Ag}\mathrm{Sb}{\mathrm{Te}}_{2}$ and ${\mathrm{Pb}}_{2}{\mathrm{Te}}_{2}$ blocks. For $x=1$, $\mathrm{Ag}\mathrm{Sb}{\mathrm{Te}}_{2}$ has a body-centered tetragonal (bct) structure which is in agreement with previous Monte Carlo simulation results for restricted primitive model (RPM) at closed packed density. The phase diagram of this frustrated CLG system is discussed.
科研通智能强力驱动
Strongly Powered by AbleSci AI