Suppression of thermopower of NaxCoO2 by an external magnetic field:: Boltzmann transport combined with spin-polarized density functional theory

被引:127
|
作者
Xiang, H. J. [2 ]
Singh, D. J. [1 ]
机构
[1] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA
[2] N Carolina State Univ, Dept Chem, Raleigh, NC 27695 USA
关键词
D O I
10.1103/PhysRevB.76.195111
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We calculate the thermopower in NaxCoO2 using the standard Boltzmann transport theory and first principles electronic structures with spin polarization taken into account. The thermopower is found to be smaller when the system is polarized, which thereby provides an alternative reasonable explanation for the suppression of thermopower in a magnetic field. The role of the spin-orbit coupling on the thermoelectricity is also discussed.
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页数:5
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