In-Cage Interactions in the Clathrate Superconductor Sr8 Si46

Chemistry. 2020 Jan 16;26(4):830-838. doi: 10.1002/chem.201904170. Epub 2019 Dec 12.

Abstract

The clathrate I superconductor Sr8 Si46 is obtained under high-pressure high-temperature conditions, at 5 GPa and temperatures in the range of 1273 to 1373 K. At ambient pressure, the compound decomposes upon heating at T=796(5) K into Si and SrSi2 . The crystal structure of the clathrate is isotypic to that of Na8 Si46 . Chemical bonding analysis reveals conventional covalent bonding within the silicon network as well as additional multi-atomic interactions between Sr and Si within the framework cages. Physical measurements indicate a bulk BCS type II superconducting state below Tc =3.8(3) K.

Keywords: chemical bonding; clathrate; high-pressure synthesis; silicon; strontium.