文献类型：期刊文献

英文题名：In-situ investigation of the thermal decomposition of clathrate-I Ba6.2Si46

作者：Liang, Ying[1,2];Boehme, Bodo[1];Vasylechko, Leonid[3];Baitinger, Michael[1];Grin, Yuri[1]

机构：[1]Max Planck Inst Chem Phys Fester Stoffe, D-01187 Dresden, Germany;[2]E China Univ Sci & Technol, Inst Nucl Technol & Applicat, Sch Sci, Shanghai 200237, Peoples R China;[3]Lviv Polytech Natl Univ, UA-79013 Lvov, Ukraine

年份：2013

卷号：74

期号：2

起止页码：225

外文期刊名：JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

收录：;EI(收录号：20124915769328);WOS:【SCI-EXPANDED(收录号:WOS:000312763800008)】；

基金：The authors thank Dr. A Bell and A. Berghaeuser for assistance at the experimental station B2 of HASYLAB. BB and YG acknowledge funding by the European Union (EFRE) and the Free State of Saxony (SAB Grant no. 100112628), MB and YG acknowledge funding by the DFG (SPP 1415).

语种：英文

外文关键词：Intermetallic compounds; Superconductors; Semiconductors; X-ray diffraction; Phase transitions

摘要：The thermal decomposition behavior of the clathrate-I Ba6.20Si46 obtained by oxidation of Ba4Li2Si6 with gaseous HCl was investigated in an in-situ synchrotron XRPD experiment. On heating, complex structural rearrangements of the clathrate phase set in. At 600 degrees C, the formation of silicon is observed. The lattice parameter of the clathrate phase markedly increased along with the Ba occupancy of the dodecahedral cages. Additionally, hints for silicon vacancies in the clathrate framework were found at this temperature. The increase of Ba content on annealing is in remarkable contrast to the behavior previously observed for Ba8-xSi46 products prepared at high-pressure. (C) 2012 Elsevier Ltd. All rights reserved.