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Synthesis, crystal and electronic structure, and transport properties of type-I semiclathrates Ge46–xPxSe8–yстатья
Статья опубликована в высокорейтинговом журнале
Информация о цитировании статьи получена из
Web of Science,
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
- Авторы: Kirsanova M.A., Mori T., Matveeva M., Batuk D., Abakumov A., Gerasimenko A.V., Olenev A.V., Grin Y.N., Shevelkov A.V.
- Журнал: Inorganic Chemistry
- Том: 52
- Год издания: 2013
- Издательство: American Chemical Society
- Местоположение издательства: United States
- Первая страница: 577
- Последняя страница: 588
- Аннотация: A first clathrate compound with selenium guest atoms, [Ge46−xPx]Se8−y□y (x = 15.4(1); y = 0−2.65; □ denotes a vacancy), was synthesized as a single-phase and structurally characterized. It crystallizes in the space group Fm3̅ with the unit cell parameter a varying from 20.310(2) to 20.406(2) Å and corresponding to a 2 × 2 × 2 supercell of a usual clathrate-I structure. The superstructure is formed due to the symmetrical arrangement of the three-bonded framework atoms appearing as a result of the framework transformation of the parent clathrate-I structure. Selenium guest atoms occupy two types of polyhedral cages inside the positively charged framework; all selenium atoms in the larger cages form a single covalent bond with the framework atoms, relating the title compounds to a scanty family of semiclathrates. According to the measurements of electrical resistivity and Seebeck coefficient, [Ge46−xPx]Se8−y□y is an n-type semiconductor with Eg = 0.41 eV for x = 15.4(1) and y = 0; it demonstrates the maximal thermoelectric power factor of 2.3 × 10−5 W K−2 m−1 at 660 K.
- Добавил в систему: Кирсанова Мария Александровна