Electronic structure and thermoelectric performance of Zintl compound Sr{sub 3}GaSb{sub 3}: A first-principles study
By using first-principles method and Boltzmann theory, we simulated the thermoelectric transport properties of p-type and n-type Sr{sub 3}GaSb{sub 3}. It is found that the thermoelectric figure-of merit (ZT) of n-type Sr{sub 3}GaSb{sub 3} is probably better than that of p-type, mainly due to its large band degeneracy. Moreover, a high ZT value of 1.74 at 850 K can be achieved for n-type Sr{sub 3}GaSb{sub 3} along the yy direction, corresponding to the carrier concentration 3.5 × 10{sup 20} e cm{sup −3}. We propose that the high ZT value of experimentally synthesized p-type Sr{sub 3}GaSb{sub 3} is originated from appearing of the larger number of band valley on the top of valence bands.
- OSTI ID:
- 22257016
- Journal Information:
- Applied Physics Letters, Vol. 104, Issue 1; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0003-6951
- Country of Publication:
- United States
- Language:
- English
Similar Records
High thermoelectric performance in the multi-valley electronic system Zr{sub 3}Ni{sub 3−x}Co{sub x}Sb{sub 4} and the high-mobility Zr{sub 3}Ni{sub 3−x}Cu{sub x}Sb{sub 4}
Thermoelectric properties of AMg2X2, AZn2Sb2 (A = Ca, Sr, Ba; X = Sb, Bi), and Ba2ZnX2 (X = Sb, Bi) Zintl compounds
Composites of Bi{sub 2-x}Sb{sub x}Te{sub 3} nanocrystals and fullerene molecules for thermoelectricity
Journal Article
·
Mon Mar 24 00:00:00 EDT 2014
· Applied Physics Letters
·
OSTI ID:22257016
+2 more
Thermoelectric properties of AMg2X2, AZn2Sb2 (A = Ca, Sr, Ba; X = Sb, Bi), and Ba2ZnX2 (X = Sb, Bi) Zintl compounds
Journal Article
·
Mon Apr 03 00:00:00 EDT 2017
· Journal of Materials Chemistry. A
·
OSTI ID:22257016
Composites of Bi{sub 2-x}Sb{sub x}Te{sub 3} nanocrystals and fullerene molecules for thermoelectricity
Journal Article
·
Sat Sep 15 00:00:00 EDT 2012
· Journal of Solid State Chemistry
·
OSTI ID:22257016
+2 more