Statistical model analysis of local structure of quaternary sphalerite crystals

• Опубліковано в: : Физика низких температур
• Дата: 2007
• Автори: Robouch, B.V., Kisie, A., Marcelli, A., Sheregii, E.M., Cestelli Guidi, M., Piccinini, M., Polit, J., Cebulski, J., Mycielsk, A., Ivanov-Omski, V.I., Sciesinska, E., Sciesinski, J., Burattini, E.
• Формат: Стаття
• Мова: Англійська
• Опубліковано: Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України 2007
• Теми: Структура и свойства полупроводников с переходными элементами
• Онлайн доступ: https://nasplib.isofts.kiev.ua/handle/123456789/127732
• Назва журналу: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Цитувати: Statistical model analysis of local structure of quaternary
 sphalerite crystals / B.V. Robouch, A. Kisiel, A. Marcelli, E.M. Sheregii, M. Cestelli Guidi, M. Piccinini, J. Polit, J. Cebulski, A. Mycielski, V.I. Ivanov-Omskii, E. Sciesinska, J. Sciesinski, and E. Burattini // Физика низких температур. — 2007. — Т. 33, № 2-3. — С. 291-303. — Бібліогр.: 40 назв. — англ.

At the 2004 Ural International Winter School, we introduced the statistical strained tetrahedron
 model and discussed ternary tetrahedron structured crystals. The model allows one to interpret
 x-ray absorption fine structure (EXAFS) data and extract quantitative information on ion site occupation
 preferences and on the size and shape of each elemental constituent of the configuration tetrahedra.
 Here we extend the model to cover quaternary sphalerite crystal structures. We discuss the
 two topologically different quaternary sphalerite systems: the pseudo balanced A₁₋xBxYyZ₁₋y (2:2
 cation:anion ratio), and the unbalanced AxBx 
 C₁₋x₋x 
 Z or AXyYy 
 Z₁₋y₋y (3:1 or 1:3 cation:anion ratios)
 truly quaternary alloy systems. These structural differences cause preference values in pseudo
 quaternaries to vary with the relative contents, but to remain constant in truly quaternary compounds.
 We give equations to determine preference coefficient values from EXAFS or phonon spectra
 and to extract nearest-neighbour inter-ion distances by EXAFS spectroscopy. The procedure is illustrated
 and tested on CdMnSeTe, GaInAsSb, and ZnCdHgTe quaternary alloys.