论文标题
FESB2中巨大热电器的空置缺陷控制
Vacancy defect control of colossal thermopower in FeSb2
论文作者
论文摘要
铁二酰胺剂是一种材料，具有最高的热电功率。通过将扫描透射电子显微镜研究与电子传输中子，X射线散射和第一个原理计算相结合，我们确定了控制巨大的热量幅度的原子缺陷和具有SB空位顺序的纳米沉淀簇，从而诱导其他声子散射并实质上降低了热导率。发现缺陷会导致相当弱但重要的单斜线变形，使单位细胞PNNM对PM。由于Fe d轨道重叠而导致的高缺陷浓度形成了高缺陷浓度的不存在SB。 FESB2中的原子缺陷各向异性和巨大的热电器之间的联系为理解和调整相关材料中巨型热电器的连接铺平了道路。
Iron diantimonide is a material with the highest known thermoelectric power. By combining scanning transmission electron microscope study with electronic transport neutron, X-ray scattering and first principle calculation we identify atomic defects that control colossal thermopower magnitude and nanoprecipitate clusters with Sb vacancy ordering which induce additional phonon scattering and substantially reduce thermal conductivity. Defects are found to cause rather weak but important monoclinic distortion of the unit cell Pnnm to Pm. The absence of Sb along [010] for high defect concentration forms conducting path due to Fe d orbital overlap. The connection between atomic defect anisotropy and colossal thermopower in FeSb2 paves the way for the understanding and tailoring of giant thermopower in related materials.
