Electronic structure, mechanical and thermoelectric properties of the full Heusler Ba2AgZ (Z = Bi, Sb) alloys: insights from DFT study

2021 ◽  
Author(s):  
M. Matougui ◽  
B. Bouadjemi ◽  
M. Houari ◽  
A. Zitouni ◽  
T. Lantri ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Thermoelectric Properties ◽  
Dft Study ◽  
Full Heusler

scholarly journals Electronic structure and thermoelectric properties of full Heusler compounds Ca2YZ (Y = Au, Hg; Z = As, Sb, Bi, Sn and Pb)

RSC Advances ◽  
2020 ◽  
Vol 10 (48) ◽  
pp. 28501-28508
Author(s):  
Yang Hu ◽  
Yurong Jin ◽  
Guangbiao Zhang ◽  
Yuli Yan
Keyword(s):  
Electronic Structure ◽  
Transport Properties ◽  
Thermoelectric Properties ◽  
First Principles ◽  
Transport Theory ◽  
Combination Method ◽  
Heusler Compounds ◽  
Boltzmann Transport ◽  
Boltzmann Transport Theory ◽  
Full Heusler

We investigate the transport properties of bulk Ca2YZ (Y = Au, Hg; Z = As, Sb, Bi, Sn and Pb) by a combination method of first-principles and Boltzmann transport theory.

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