Structural trends and chemical bonding in Te-doped silicon clathrates

Nicolas Jaussaud (1) , Michel Pouchard (1) , Pierre Gravereau (1) , Stanislav Pechev (1) , Graziella Goglio (1) , Christian Cros (1) , A. San Miguel (2) , Pierre Toulemonde (2)

1 ICMCB - Institut de Chimie de la Matière Condensée de Bordeaux
2 LPMCN - Laboratoire de Physique de la Matière Condensée et Nanostructures

The recently discovered tellurium-doped silicon clathrates, Te7+xSi20-x and Te16Si38, both low- and high-temperature forms (cubic and rhombohedral, respectively), exhibit original structures that are all derived from the parent type I clathrate G8Si46 (G = guest atom). The similarities and differences between the structures of these compounds and that of the parent one are analyzed and discussed on the basis of charge distribution and chemical bonding considerations. Because of the particular character of the Te atom, these compounds appear to be at the border between the clathrate and polytelluride families.

Mots clés: silicon derivative; Tellurium; Chemical binding; Chemical structure

Domaines: Matériaux

Nicolas Jaussaud, Michel Pouchard, Pierre Gravereau, Stanislav Pechev, Graziella Goglio, et al.. Structural trends and chemical bonding in Te-doped silicon clathrates. Inorganic Chemistry, 2005, 44 (7), pp.2210-2214. ⟨10.1021/ic040112h⟩. ⟨hal-00022363⟩