Electronic structure, optical and thermoelectric properties of half-Heusler ZrIrX(X  $$=$$ =  As, Sb, Bi): a first principles study

2017 ◽  
Vol 16 (3) ◽  
pp. 535-541 ◽  
Author(s):  
Junhong Wei ◽  
Guangtao Wang
Keyword(s):  
Electronic Structure ◽  
Thermoelectric Properties ◽  
First Principles ◽  
First Principles Study

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

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

Electronic structure and thermoelectric properties of p-type half-Heusler compound NbFeSb: a first-principles study

RSC Advances ◽  
2016 ◽  
Vol 6 (13) ◽  
pp. 10507-10512 ◽  
Author(s):  
Teng Fang ◽  
Shuqi Zheng ◽  
Hong Chen ◽  
Hui Cheng ◽  
Lijun Wang ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Thermoelectric Properties ◽  
First Principles ◽  
Heusler Compound ◽  
First Principles Study ◽  
P Type

Unchanged S2σ/τ with increasing n indicates that further increasing n can't improve the S2σ/τ when n reaches ∼2.6 × 1021 cm−3.

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.

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