Experimental and Computational Insight into the Chemical Bonding and Electronic Structure of Clathrate Compounds in the Sn鈥揑n鈥揂s鈥揑 System

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• 作者：Lada V. Yashina ; Andrey A. Volykhov ; Vera S. Neudachina ; Nadezhda V. Aleksandrova ; Liudmila N. Reshetova ; Marina E. Tamm ; Virginia P茅rez-Dieste ; Carlos Escudero ; Denis V. Vyalikh ; Andrei V. Shevelkov
• 刊名：Inorganic Chemistry
• 出版年：2015
• 出版时间：December 7, 2015
• 年：2015
• 卷：54
• 期：23
• 页码：11542-11549
• 全文大小：485K
• ISSN：1520-510X

文摘

Inorganic clathrate materials are of great fundamental interest and potential practical use for application as thermoelectric materials in freon-free refrigerators, waste-heat converters, direct solar thermal energy converters, and many others. Experimental studies of their electronic structure and bonding have been, however, strongly restricted by (i) the crystal size and (ii) essential difficulties linked with the clean surface preparation. Overcoming these handicaps, we present for the first time a comprehensive picture of the electronic band structure and the chemical bonding for the Sn_{24鈥?i>x鈥撐?/sub>InxAs22鈥?i>yI8 clathrates obtained by means of photoelectron spectroscopy and complementary quantum modeling.}