论文标题
二进制GE-S眼镜的短距离顺序和拓扑
Short range order and topology of binary Ge-S glasses
论文作者
论文摘要
ge $ _x $ s $ _ {100-x} $玻璃的短范围顺序和拓扑范围（20 $ \ le $ x $ \ le $ 42 in％）通过中子衍射，X射线衍射和GE K-EDGE扩展X射线吸收良好结构（EXAFS）测量。在反向蒙特卡洛模拟方法的框架中同时拟合了实验数据集。发现两个成分（GE和S）在所有研究的眼镜中都满足莫特 - 规则：GE和S原子分别具有4和2个邻居。这些眼镜的结构可以用化学有序的网络模型来描述：GE-S键是首选的，S-S键仅在S-S-S键中存在。专用的模拟表明，GE-GE键在富含GE的玻璃中是必要的。分析了GE原子（例如Edge-Engring GES $ _ {4/2} $ tetrahedra）之间的连接，分析了富含S的玻璃杯。还计算了原始环的频率。
Short range order and topology of Ge$_x$S$_{100-x}$ glasses over a broad composition range (20 $\le$ x $\le$ 42 in at%) was investigated by neutron diffraction, X-ray diffraction, and Ge K-edge extended X-ray absorption fine structure (EXAFS) measurements. The experimental data sets were fitted simultaneously in the framework of the reverse Monte Carlo simulation method. It was found that both constituents (Ge and S) satisfy the Mott-rule in all investigated glasses: Ge and S atoms have 4 and 2 neighbours, respectively. The structure of these glasses can be described with the chemically ordered network model: Ge-S bonds are preferred, S-S bonds are present only in S-rich glasses. Dedicated simulations showed that Ge-Ge bonds are necessary in Ge-rich glasses. Connections between Ge atoms (such as edge-sharing GeS$_{4/2}$ tetrahedra) in stoichiometric and S-rich glasses were analysed. The frequency of primitive rings was also calculated.
