Electronic structure and thermoelectric properties of the Zintl compounds Sr5Al2Sb6 and Ca5Al2Sb6: first-principles study

RSC Advances ◽  
2015 ◽  
Vol 5 (63) ◽  
pp. 50720-50728 ◽  
Author(s):  
Lingyun Ye ◽  
Yuan Xu Wang ◽  
Jueming Yang ◽  
Yuli Yan ◽  
Jihua Zhang ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Carrier Concentration ◽  
Thermoelectric Properties ◽  
First Principles ◽  
High Carrier Concentration ◽  
Mn Doping ◽  
First Principles Study ◽  
High Carrier

A high carrier concentration may be realized by Na or Mn doping. The thermoelectric properties may be improved by tuning the carrier concentration.

scholarly journals Strain effect on electronic structure and thermoelectric properties of orthorhombic SnSe: A first principles study

AIP Advances ◽  
2015 ◽  
Vol 5 (11) ◽  
pp. 117147 ◽  
Author(s):  
Do Duc Cuong ◽  
S. H. Rhim ◽  
Joo-Hyong Lee ◽  
Soon Cheol Hong
Keyword(s):  
Electronic Structure ◽  
Thermoelectric Properties ◽  
First Principles ◽  
Strain Effect ◽  
First Principles Study

scholarly journals Low-Resistivity p-Type Doping in Wurtzite ZnS Using Codoping Method

2013 ◽  
Vol 2013 ◽  
pp. 1-4 ◽  
Author(s):  
Deng-Feng Li ◽  
Min Luo ◽  
Bo-Lin Li ◽  
Cheng-Bing Wu ◽  
Bo Deng ◽  
...  
Keyword(s):  
Carrier Concentration ◽  
First Principles ◽  
Ionization Energy ◽  
Formation Energy ◽  
First Principles Calculations ◽  
High Carrier Concentration ◽  
Low Resistivity ◽  
High Carrier ◽  
P Type ◽  
Codoping Method

By using first principles calculations, we propose a codoping method of using acceptors and donors simultaneously to realize low-resistivity and high carrier concentration p-type ZnS with wurtzite structure. The ionization energy of singleNScan be lowered by introducing theIIIZn-NS(III = Al, Ga, In) passivation system. Codoping method in ZnS (2N, III) has lower formation energy comparing with single doping of N since III elements act as reactive codopants.

First-Principles Study of Electronic Structure and Thermoelectric Properties of Ge-Doped Tin Clathrates

2014 ◽  
Vol 43 (6) ◽  
pp. 2081-2085 ◽  
Author(s):  
K. Akai ◽  
K. Kishimoto ◽  
T. Koyanagi ◽  
Y. Kono ◽  
S. Yamamoto
Keyword(s):  
Electronic Structure ◽  
Thermoelectric Properties ◽  
First Principles ◽  
First Principles Study

Electronic structure, thermodynamics, and thermoelectric properties of β -BaCu 2 S 2 : A first-principles study

2015 ◽  
Vol 103 ◽  
pp. 105-110 ◽  
Author(s):  
Panfei Jiao ◽  
Chaohao Hu ◽  
Dianhui Wang ◽  
Yan Zhong ◽  
Huaiying Zhou ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Thermoelectric Properties ◽  
First Principles ◽  
First Principles Study
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