标题:Thermoelectric properties of a-site substituted lanthanide Ca0.75R0.25MnO3
作者:Zhang, X.H. ;Li, J.C. ;Du, Y.L. ;Wang, F.N. ;Liu, H.Z. ;Zhu, Y.H. ;Liu, J. ;Su, W.B. ;Wang, C.L. ;Mei, L.M.
作者机构:[Zhang, X.H. ;Li, J.C. ;Du, Y.L. ;Wang, F.N. ;Liu, H.Z. ;Zhu, Y.H. ;Liu, J. ;Su, W.B. ;Wang, C.L. ;Mei, L.M. ] School of Physics, Shandong University, 更多
通讯作者:Li, JC
来源:Journal of Alloys and Compounds
出版年:2015
卷:634
页码:1-5
DOI:10.1016/j.jallcom.2015.02.074
摘要:We present the electronic structure and thermoelectric properties of doped and intrinsic CaMnO3 investigated by first principles and semi-classic Boltzmann theory. The G-type anti-ferromagnetic phase is most stable among five intrinsic anti-ferromagnetic phases, however, the C-type phase is most stable phase after Lanthanides doping in A-site of CaMnO3. Electrons transfer from Lanthanides to Mn d orbital in 25% Lanthanides doped materials, which result in part of conductive bands are occupied by Mn d electrons. The electron transport changes from semiconductor (intrinsic) to metal (doped), this change can be found in Seebeck coefficient and electrical conductivity as the function of temperature. The electrical conductivity is enhanced by Lanthanides doping, and about 2 orders of magnitudes higher than those of intrinsic CaMnO 3. So the Lanthanides doping is useful method to modify thermoelectric properties of CaMnO3.
©2015 Published by Elsevier B.V.
收录类别:EI
资源类型:期刊论文
TOP