Thermoelectric power calculation by the Boltzmann equation:: NaxCoO2

被引:26
作者
Hamada, N. [1 ]
Imai, T. [1 ]
Funashima, H. [1 ]
机构
[1] Tokyo Univ Sci, Dept Phys, Noda, Chiba 2788510, Japan
关键词
D O I
10.1088/0953-8984/19/36/365221
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
A full-potential augmented-plane-wave (FLAPW) band-structure calculation in the local density approximation (LDA) was carried out for hexagonal NaxCoO(2) (x = 0.45, 0.55, 0.66 and 0.75). The Seebeck tensor was estimated by the Boltzmann theory, assuming that the relaxation time is constant on the Fermi surface. The Seebeck tensor is extremely anisotropic; the c-axis Seebeck coefficient varies dramatically with the Na content. The calculation reproduces the experiment semiquantitatively.
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页数:6
相关论文
共 10 条
[1]   LINEAR METHODS IN BAND THEORY [J].
ANDERSEN, OK .
PHYSICAL REVIEW B, 1975, 12 (08) :3060-3083
[2]  
BALSYS RJ, 1996, SOLID STATE IONICS, V93, P279
[4]   Unconventional magnetic transition and transport behavior in Na0.75CoO2 -: art. no. 064406 [J].
Motohashi, T ;
Ueda, R ;
Naujalis, E ;
Tojo, T ;
Terasaki, I ;
Atake, T ;
Karppinen, M ;
Yamauchi, H .
PHYSICAL REVIEW B, 2003, 67 (06)
[5]   Simultaneously enhanced thermoelectric power and reduced resistivity of NaxCo2O4 by controlling Na nonstoichiometry [J].
Motohashi, T ;
Naujalis, E ;
Ueda, R ;
Isawa, K ;
Karppinen, M ;
Yamauchi, H .
APPLIED PHYSICS LETTERS, 2001, 79 (10) :1480-1482
[6]   IMPROVED CORRELATION CORRECTIONS TO THE LOCAL-SPIN-DENSITY APPROXIMATION [J].
PAINTER, GS .
PHYSICAL REVIEW B, 1981, 24 (08) :4264-4270
[7]   Dome-shaped magnetic phase diagram of thermoelectric layered cobaltites -: art. no. 017602 [J].
Sugiyama, J ;
Brewer, JH ;
Ansaldo, EJ ;
Itahara, H ;
Tani, T ;
Mikami, M ;
Mori, Y ;
Sasaki, T ;
Hébert, S ;
Maignan, A .
PHYSICAL REVIEW LETTERS, 2004, 92 (01) :4
[8]   LINEAR AUGMENTED PLANE-WAVE METHOD FOR SELF-CONSISTENT CALCULATIONS [J].
TAKEDA, T ;
KUBLER, J .
JOURNAL OF PHYSICS F-METAL PHYSICS, 1979, 9 (04) :661-672
[9]   Large thermoelectric power in NaCo2O4 single crystals [J].
Terasaki, I ;
Sasago, Y ;
Uchinokura, K .
PHYSICAL REVIEW B, 1997, 56 (20) :12685-12687
[10]   ACCURATE SPIN-DEPENDENT ELECTRON LIQUID CORRELATION ENERGIES FOR LOCAL SPIN-DENSITY CALCULATIONS - A CRITICAL ANALYSIS [J].
VOSKO, SH ;
WILK, L ;
NUSAIR, M .
CANADIAN JOURNAL OF PHYSICS, 1980, 58 (08) :1200-1211