کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1486694 | 1510563 | 2005 | 10 صفحه PDF | دانلود رایگان |
![عکس صفحه اول مقاله: Structural study of amorphous Te2X (X = Br, I): X-ray diffraction, neutron diffraction and reverse Monte Carlo simulations Structural study of amorphous Te2X (X = Br, I): X-ray diffraction, neutron diffraction and reverse Monte Carlo simulations](/preview/png/1486694.png)
Reverse Monte Carlo simulations of the Te2Br0.75I0.25 chalcohalide glass structure using high-energy X-ray and thermal neutron diffraction data show that the glass structure consists of finite –Te–Te–Te– and –Te–Br–Te– chain fragments interconnected by 3-coordinated I atoms. The average Te–Te nearest-neighbor coordination is equal to 2.2 ± 1.4, the Te–Te next nearest-neighbor coordination is equal 7.3 ± 2.6 and the Br–Br coordination is equal to 5.6 ± 0.6. Detailed analysis of the coordination numbers, bond-angle distributions, ring statistics and Warren–Cowley parameters of the different models demonstrates that the short-range order of the glass differs from that of crystalline Te2X (X = Br, I). The presence of long Te–Te bonds (>3.0 Å) typical for liquid Te and crystalline tellurium-rich polytellurides is also established.
Journal: Journal of Non-Crystalline Solids - Volume 351, Issues 37–39, 1 October 2005, Pages 3095–3104