An Sn-induced resonant level in $\beta-As_{2}Te_{3}$
PBN-AR
Instytucja
Wydział Fizyki i Informatyki Stosowanej (Akademia Górniczo-Hutnicza im. Stanisława Staszica w Krakowie)
##### Informacje podstawowe
Główny język publikacji
EN
Czasopismo
Physical Chemistry Chemical Physics (40pkt w roku publikacji)
ISSN
1463-9076
EISSN
1463-9084
Wydawca
The Royal Society of Chemistry
DOI
Rok publikacji
2018
Numer zeszytu
18
Strony od-do
12948--12957
Numer tomu
20
Identyfikator DOI
Liczba arkuszy
0.71
##### Autorzy
(liczba autorów: 6)
Pozostali autorzy
+ 4
##### Streszczenia
Język
EN
Treść
Distortion of the density of states by an impurity-induced resonant level has been shown to provide an effective strategy to improve the thermoelectric performance of semiconductors such as Bi2Te3, PbTe or SnTe. Here, combining first-principles calculations and transport property measurements, we demonstrate that Sn is a resonant impurity that distorts the valence band edge in p-type beta-As2Te3. This remarkable effect is characterized as a prominent, sharp peak in the electronic density of states near the Fermi level. To illustrate the particular influence of Sn on the thermopower of beta-As2Te3, the theoretical Ioffe-Pisarenko curve, computed within the Boltzmann transport theory, is compared with the experimental results obtained on three series of polycrystalline samples with substitution of Ga and Bi for As and I for Te. While Ga and I behave as conventional, rigid-band-like dopants and follow theoretical predictions, Sn results in significant deviations from the theoretical curve with a clear enhancement of the thermopower. Both electronic band structure calculations and transport property measurements provide conclusive evidence that this enhancement and hence, the good thermoelectric performances achieved at mid temperatures in beta-As2-xSnxTe3 can be attributed to a resonant level induced by Sn atoms. The possibility to induce resonant states in the electronic band structure of beta-As2Te3 opens new avenues to further optimize its thermoelectric performance.
original article
peer-reviewed
##### Inne
System-identifier
idp:114262
Crossref
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