|About this Abstract
||2017 TMS Annual Meeting & Exhibition
||Alloys and Compounds for Thermoelectric and Solar Cell Applications V
||Thermoelectric Properties of Synthesized Sulfides –Adjusted on First Principle Calculation for Screening-
||Tomohiro Sato, Shuhei Ishikawa, Toshiki Akamune, Ken-ichi Saitoh, Masanori Takuma, Yoshimasa Takahashi
|On-Site Speaker (Planned)
Sulfides as CZTS are candidates of thermoelectric materials. For example, Cu-S system sulfides are interesting material. Cu2S is positive semiconductor, however, it turns on negative semiconductor by adding Fe as Cu5FeS4 (so called bornite). Other sulfide based on metals were also useful materials. For sorting the other Cu-S system and/or other sulfides, first principle simulation were conducted for several sulfides as screening for synthesizing the materials. Based on the results of first principle simulation, seebeck coefficient was calculated by using simulation packages. On the other hand, sulfides were also synthesized by vacuum atmosphere experimentally. As a result, calculated seebeck coefficient was consistent with that of the experimentally synthesized materials in some sulfides. However, the results did not match among the some samples. These results depended on purity of sulfides which was determined by synthesizing conditions.
||Planned: Supplemental Proceedings volume