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Anomalous enhancement of the thermoelectric figure of merit by V co-doping of Nb-SrTiO3
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View: Figures


Image of FIG. 1.
FIG. 1.

Cross-sections of Nb and V co-doped STO/SrTi1−2xNbxVxO3/STO (x = 12.5%, 25%). (a) Minimum energy configuration for x = 12.5%. Thethree columns are three adjacent layers, with Nb and V atoms doped in layer 1. The atoms marked with indices are addressed in Fig. 3. (b) Layer 1 of the second lowest energy configuration (system 3). Layers 2 and 3 are identical to (a). (c) Layers 1 and 3 of the third lowest energy configuration (system 2) for x = 12.5%. Layer 2 is identical to (a). (d) Four adjacent layers for x = 25%.

Image of FIG. 2.
FIG. 2.

Total DOS of the STO/SrTi1−2xNbxVxO3/STO heterostructure. Systems 1, 2, and 3 (x = 12.5%) contain 1 Nb atom and 1 V atom, while system 4 (x = 25%) contains 2 Nb and 2 V atoms. The arrow highlights the main contribution to the polarization.

Image of FIG. 3.
FIG. 3.

Carrier densities of the systems under investigation.

Image of FIG. 4.
FIG. 4.

Partial DOS of the STO/SrTi1−2xNbxVxO3/STO heterostructure for x = 12.5%.

Image of FIG. 5.
FIG. 5.

Comparison of the thermoelectric properties of systems 1 (x = 12.5%) and 4 (x = 25%).

Image of FIG. 6.
FIG. 6.

Spin dependent Seebeck coefficient and thermoelectric figure of merit for systems 1 (x = 12.5%) and 4 (x = 25%).

Image of FIG. 7.
FIG. 7.

Variation of the thermoelectric figure of merit with the doping.


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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Anomalous enhancement of the thermoelectric figure of merit by V co-doping of Nb-SrTiO3