Mechanical stability and thermoelectric properties of the PdZrTiAl quaternary Heusler: A DFT study

2020 ◽  
Vol 308 ◽  
pp. 113838 ◽  
Author(s):  
Mansoure Ilkhani ◽  
Arash Boochani ◽  
Maliheh Amiri ◽  
Moein Asshabi ◽  
Dibya Prakash Rai
Keyword(s):  
Thermoelectric Properties ◽  
Mechanical Stability ◽  
Dft Study

DFT study on the crystal structure, optoelectronic, and thermoelectric properties of lead-free inorganic A2PdBr6 (A = K, Rb, and Cs) perovskites

2021 ◽  
pp. 103061
Author(s):  
Mohammed Alaa Bousahla ◽  
Muhammad Faizan ◽  
Taieb Seddik ◽  
Saad Bin Omran ◽  
Houari Khachai ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Thermoelectric Properties ◽  
Lead Free ◽  
Dft Study

The n- and p-type thermoelectric response of a semiconducting Co-based quaternary Heusler alloy: a density functional approach

2019 ◽  
Vol 7 (25) ◽  
pp. 7664-7671 ◽  
Author(s):  
Enamullah Enamullah ◽  
Pil-Ryung Cha
Keyword(s):  
Electronic Structure ◽  
Thermoelectric Properties ◽  
Heusler Alloy ◽  
Density Functional ◽  
Transport Theory ◽  
Mechanical Stability ◽  
Functional Approach ◽  
Boltzmann Transport ◽  
Boltzmann Transport Theory ◽  
P Type

In the combined framework of density functional and Boltzmann transport theory, we have systematically studied the electronic structure, mechanical stability and thermoelectric properties of the semiconducting quaternary Heusler alloy, CoFeTiAl.

Thermoelectric properties of rare-earth selenides RE3Se4 (RE = Nd, Sm): A DFT study

2021 ◽  
Vol 29 ◽  
pp. e00599
Author(s):  
G.S. AlGhamdi ◽  
Anuradha Saini ◽  
Ranjan Kumar
Keyword(s):  
Rare Earth ◽  
Thermoelectric Properties ◽  
Dft Study

DFT study of structural, electronic, and thermoelectric properties of Cs2PdX(X=Br2Be2Te2) compound

2021 ◽  
Vol 29 ◽  
pp. e00600
Author(s):  
Amina Boubekraoui ◽  
Hajar Moatassim ◽  
Ahmed Al-Shami ◽  
Hamid Ez-Zahraouy
Keyword(s):  
Thermoelectric Properties ◽  
Dft Study

Electronic, optical and thermoelectric properties of the WS2–GaN interfaces: a DFT study

2020 ◽  
Vol 10 (4) ◽  
pp. 249-261
Author(s):  
Nyusha Amani ◽  
Mohammadreza Hantehzadeh ◽  
Hossein Akbari ◽  
Arash Boochani
Keyword(s):  
Thermoelectric Properties ◽  
Dft Study
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