A density-functional approach to the electronic structure of dissolved impurities in simple liquid metals

1983 ◽  
Vol 13 (8) ◽  
pp. 1645-1655 ◽  
Author(s):  
R H Fairlie ◽  
D A Greenwood
Keyword(s):  
Electronic Structure ◽  
Density Functional ◽  
Liquid Metals ◽  
Functional Approach ◽  
Simple Liquid

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.

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