Exploring the Electronic, Magnetic, Optical, and Thermoelectric Properties of Mn3Si2Te6 by Using the Strain Effect: A DFT Study

We performed first-principles calculations to investigate the structural, electronic, magnetic, optical, and thermoelectric properties of Mn3Si2Te6 (MST) at various temperatures using the BoltzTraP package. From the experimental analysis, the material exhibited a metallic nature due to zero bandgap....

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Veröffentlicht in:	Journal of electronic materials 2024-10, Vol.54 (1), p.403-412
Hauptverfasser:	Saeed, Y., Alburaih, Huda A., Elkhalig, M. Musa Saad Hasb, Saeed, M. Usman, Ali, Sardar Mohsin, Ali, Zeeshan, Khan, Fahad Ali, Khan, Uzair, Razzaq, Ahmad, Bacha, Aziz-Ur-Rahim
Format:	Artikel
Sprache:	eng
Schlagworte:	Brillouin zones Compressive properties Density functional theory Electrical resistivity Energy gap Figure of merit First principles Heat conductivity Heat transfer Magnetic properties Optical properties Power factor Seebeck effect Strain analysis Temperature Tensile strain Thermal conductivity Thermoelectric materials Thermoelectricity
Online-Zugang:	Volltext
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