Effect of Se incorporation on thermoelectric properties of Bi2(Se x Te1-x )3 alloys

Effect of Se incorporation on thermoelectric properties of Bi2(Se x Te1-x )3 alloys

We used first-principles calculations based on density functional theory and the Boltzmann transport equation with an empirical relaxation time scheme to investigate the thermoelectric (TE) properties of Bi2(Se x Te1-x )3 alloys. We examined various TE indicators and found that Bi2SeTe2 shows relati...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Japanese Journal of Applied Physics 2021-07, Vol.60 (7)
Hauptverfasser: Ota, Yuichi, Namiki, Hiromasa, Yamazaki, Hideo, Konagaya, Ryota, Yonezawa, Susumu, Komori, Takafumi, Takashiri, Masayuki
Format: Artikel
Sprache:eng ; jpn
Schlagworte:
Bismuth tellurides
Boltzmann transport equation
Density functional theory
DFT
Empirical equations
First principles
Power factor
Relaxation time
Thermoelectric
Thermoelectricity
Transport equations
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
Beschreibung
Zusammenfassung:We used first-principles calculations based on density functional theory and the Boltzmann transport equation with an empirical relaxation time scheme to investigate the thermoelectric (TE) properties of Bi2(Se x Te1-x )3 alloys. We examined various TE indicators and found that Bi2SeTe2 shows relatively highest TE performance in Bi2(Se x Te1-x )3 alloys than bulk Bi2Te3. The result indicated that it is difficult to find the favorable Se composition for Bi2(Se x Te1-x )3 via power factor. The findings suggested that our computational framework provides a useful guide for the effect of Se incorporation on TE performance of Bi2(Se x Te1-x )3 alloys.
ISSN:0021-4922
1347-4065
DOI:10.35848/1347-4065/ac103a