Synthesis, structure, and transport properties of type-I derived clathrate Ge46-xPxSe8-y (x = 15.4(1); Y = 0-2.65) with diverse host-guest bonding

Maria A. Kirsanova, Takao Mori, Satofumi Maruyama, Maria Matveeva, Dmitry Batuk, Artem M. Abakumov, Andrei V. Gerasimenko, Andrei V. Olenev, Yuri Grin, Andrei V. Shevelkov

Результат исследований: Вклад в журналСтатьярецензирование

13 Цитирования (Scopus)

Аннотация

A first clathrate compound with selenium guest atoms, [Ge 46-xPx]Se8-yy (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 Fm3Ì... 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]Se 8-yy 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.

Язык оригиналаАнглийский
Страницы (с-по)577-588
Число страниц12
ЖурналInorganic Chemistry
Том52
Номер выпуска2
DOI
СостояниеОпубликовано - 18 янв. 2013

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