The band structure and electronic density of states of thermoelectric Co-doped magnesium silicide

摘要：

Magnesium silicide (Mg2Si) has been identified a promising advanced thermoelectric material in temperature range from 300 to 700K. In order to understand thermoelectric properties of Co-doped magnesium silicide, the band structure and electronic density of states have been calculated using a first-principle pseudopotential method. It is shown that the band gap gradually decreases, at the same time degeneracy of the band and the density of states at the fermi level increase as the content of cobalt increases. It was properly predicted that the Seebeck coefficient and electrical conductivity increase, and thermal conductivity decreases as the content of cobalt increases.

关键词： first principles electronic structure thermoelectric property magnesium silicide doping

作者: Chunlin Fu Huan Liao Wei Cai Chaoyang Zhang

作者单位: School of Metallurgical and Materials Engineering, Chongqing University of Science andTechnology, Ch Institute of Chemical Materials, China Academy of Engineering Physics (CAEP), P.O. Box 919-327, Mian

会议类型: 国际会议

会议名称: 11th IUMRS International Conference in Asia(第十一届国际材联亚洲材料大会 IUMRS-ICA 2010)

会议地点: 青岛

会议语种:英文

页码: 194-198

在线出版日期: 2010-09-25（万方平台首次上网日期，不代表论文的发表时间）