Zintl germanides for thermoelectric applications: Insights from DFT and Boltzmann transport theory

Zintl germanides for thermoelectric applications: Insights from DFT and Boltzmann transport theory

We present a comprehensive theoretical investigation of the electronic and thermoelectric properties of Zintl germanides AeNiGe (Ae = Mg, Sr, Ba) using density functional theory (DFT) combined with Boltzmann transport theory. Our calculations reveal that all three compounds exhibit metallic behavior...

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Bibliographic Details
Main Authors: Souraya Goumri-Said, Sikander Azam, Bakhtiar Ul Haq, Mohammed Benali Kanoun
Format: Article
Language:English
Published: Elsevier 2025-02-01
Series:Results in Physics
Subjects:
Zintl germanides
Thermoelectric properties
Density functional theory
Boltzmann transport theory
Online Access:http://www.sciencedirect.com/science/article/pii/S2211379725000130
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