Prediction of room-temperature high-thermoelectric performance in n-type La(Ru1-xRhx)4Sb12

被引:20
作者
Fornari, M [1 ]
Singh, DJ
机构
[1] CSI George Mason Univ, Fairfax, VA 22030 USA
[2] USN, Res Lab, Ctr Computat Mat Sci, Washington, DC 20375 USA
关键词
D O I
10.1063/1.124220
中图分类号
O59 [应用物理学];
学科分类号
摘要
First-principles calculations are used to investigate the band structure and the transport-related properties of unfilled and filled 4d skutterudite antimonides. The calculations show that, while RhSb3 and p-type La(Rh,Ru)(4)Sb-12 are unfavorable for thermoelectric application, n-type La(Rh,Ru)(4)Sb-12 is very likely a high figure-of-merit thermoelectric material in the important temperature range 150-300 K. (c) 1999 American Institute of Physics. [S0003-6951(99)00924-9].
引用
收藏
页码:3666 / 3668
页数:3
相关论文
共 14 条
[1]   Preparation and thermoelectric properties of semiconducting Zn4Sb3 [J].
Caillat, T ;
Fleurial, JP ;
Borshchevsky, A .
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 1997, 58 (07) :1119-1125
[2]  
Fleurial J. P., 1995, P 13 INT C THERM, P40
[3]   High figure of merit in Ce-filled skutterudites [J].
Fleurial, JP ;
Borshchevsky, A ;
Caillat, T ;
Morelli, DT ;
Meisner, GP .
PROCEEDINGS ICT '96 - FIFTEENTH INTERNATIONAL CONFERENCE ON THERMOELECTRICS, 1996, :91-95
[4]  
MAHAN G, 1999, SOLID STATE PHYS, P81
[5]  
Nag B. R, 1980, ELECT TRANSPORT COMP
[6]   Filled skutterudite antimonides: Electron crystals and phonon glasses [J].
Sales, BC ;
Mandrus, D ;
Chakoumakos, BC ;
Keppens, V ;
Thompson, JR .
PHYSICAL REVIEW B, 1997, 56 (23) :15081-15089
[7]   Filled skutterudite antimonides: A new class of thermoelectric materials [J].
Sales, BC ;
Mandrus, D ;
Williams, RK .
SCIENCE, 1996, 272 (5266) :1325-1328
[8]  
SINGH D, 1991, PHYS REV B, V43, P6338
[9]  
Singh D. J., 2006, PLANEWAVES PSEUDOPOT
[10]   SKUTTERUDITE ANTIMONIDES - QUASI-LINEAR BANDS AND UNUSUAL TRANSPORT [J].
SINGH, DJ ;
PICKETT, WE .
PHYSICAL REVIEW B, 1994, 50 (15) :11235-11238