In:
Chemistry – A European Journal, Wiley, Vol. 23, No. 40 ( 2017-07-18), p. 9505-9516
Abstract:
The new clathrate single crystal Si 30.3(8) P 15.7(8) Se 7.930(3) was synthesized through a solid‐state reaction, and it was characterized to have a unit cell parameter a= 19.7614(1) Å and belong to space group Fm . In this clathrate structure, a Se1−Si3 bond forms in place of the tetrakaidecahedron structure, and pental dodecahedral cages composed of Si and P atoms encapsulate Se2, Se3, and Se4 guest atoms. Similar structures are observed in partial Te‐ and Ge‐substituted compounds. Theoretical calculations based on an ordered formula Si 32 P 14 Se 7 showed a semiconducting electronic structure with a band gap of 0.711 eV. A photoelectric response was observed in this compound at room temperature. Across the whole temperature range, this material exhibited a weak temperature‐dependent diamagnetic signal, and no phase transition or thermal anomaly was observed in heat capacity measurements.
Type of Medium:
Online Resource
ISSN:
0947-6539
,
1521-3765
DOI:
10.1002/chem.201700972
Language:
English
Publisher:
Wiley
Publication Date:
2017
detail.hit.zdb_id:
1478547-X
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