Wigner Research Centre for Physics, Institute for Solid State Physics, Budapest, Hungary.
J Phys Condens Matter. 2013 May 15;25(19):195401. doi: 10.1088/0953-8984/25/19/195401. Epub 2013 Apr 19.
Amorphous Ge(x)Te(100-x) alloys were obtained over a broad composition range (12 ≤ x ≤ 44.6) by thermal co-evaporation. Their structure was investigated by x-ray diffraction and extended x-ray absorption fine structure measurements. Experimental datasets were fitted simultaneously by the reverse Monte Carlo simulation technique. It is concluded that Te is mostly twofold coordinated and the majority of Ge atoms have four neighbours. The number of Ge-Ge and Te-Te bonds evolves monotonically with composition. Ge-Ge bonding can be observed already at x = 24 while Te-Te bonds can be found even in Ge44.6Te55.4. The models obtained by simulation show that the structure of compositions with x > 24 should be considered as a random covalent network but there is chemical ordering for x ≤ 24, exactly in the composition range where glasses can be obtained from the melt by fast quenching. The composition dependences of some physical properties also point to the connection between chemical short range order and the stability of the amorphous phase: while the glass transition temperature and microhardness increase monotonically with the composition, the thermal stability of the amorphous films goes through a maximum around x = 20-24.
非晶 Ge(x)Te(100-x) 合金通过热共蒸发在很宽的组成范围内(12 ≤ x ≤ 44.6)获得。通过 X 射线衍射和扩展 X 射线吸收精细结构测量研究了它们的结构。实验数据集通过反向蒙特卡罗模拟技术同时进行拟合。结论是,Te 主要以二配位形式存在,大多数 Ge 原子有四个近邻。Ge-Ge 和 Te-Te 键的数量随组成单调变化。在 x = 24 时已经可以观察到 Ge-Ge 键,而在 Ge44.6Te55.4 中甚至可以发现 Te-Te 键。通过模拟得到的模型表明,x > 24 的组成的结构应被视为随机共价网络,但在 x ≤ 24 时存在化学有序,正好在可以通过快速淬火从熔体中获得玻璃的组成范围内。一些物理性质的组成依赖性也表明化学短程有序与非晶相稳定性之间的联系:玻璃化转变温度和显微硬度随组成单调增加,而非晶薄膜的热稳定性在 x = 20-24 左右达到最大值。