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| Type |
Poster Presentation |
| Area |
Inorganic Chemistry |
| Room No. |
Exhibition Hall 2 |
| Time |
4월 18일 (목요일) 11:00~12:30 |
| Code |
INOR.P-27 |
| Subject |
Zintl Phase with the Mixed Cations for the Thermoelectric Material Application: the Series of Ca2-xYbxCdSb2 |
| Authors |
Ki Won Kim, Tae-Soo You*
Department of Chemistry, Chungbuk Natioanl University, Korea
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| Abstract |
Recently, it has been reported that the thermoelectric Zintl compounds Yb2-xEuxCdSb2 showed decent ZT value. However for the system, cationic mixing of Ca2+ and Yb2+ hasn’t been reported. In addition, considering previously known two Zintl phases the Ca2CdSb2 and the Yb2CdSb2 compounds, Ca2+/Yb2+ cation mixing could shed a light on some interesting subjects, like structure determination by Ca2+/Yb2+ cationic ratio. Thus, a series of Ca2-xYbxCdSb2 compounds were synthesized by flux reactions, and characterized by powder and single crystal X-ray diffractions. According to SXRD refinement results, it has been observed that the compounds having relatively larger Ca content adopted the Ca2CdSb2–type, while the compounds having relatively larger Yb content adopted the Yb2CdSb2-type. Each structures adopt orthorhombic space group Pnma for the Ca2CdSb2–type and Cmc21 for the Yb2CdSb2-type, and both structures are comprised of five independent atomic sites. Tight-binding linear muffin-tin orbital calculations were also performed to understand chemical bonding and the overall electronic structure. In the process, density of states and crystal orbital Hamilton population were interrogated. As a result, Ca2CdSb2–type showed semiconductor behavior with narrow band gap, while Yb2CdSb2-type showed poor metallic behavior with pseudogap. Currently, thermoelectric property measurements for those compounds are underway. |
| E-mail |
kiwon0406@gmail.com |
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123rd General Meeting of the KCS