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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%.
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.
Carrier densities of the systems under investigation.
Partial DOS of the STO/SrTi1−2xNbxVxO3/STO heterostructure for x = 12.5%.
Comparison of the thermoelectric properties of systems 1 (x = 12.5%) and 4 (x = 25%).
Spin dependent Seebeck coefficient and thermoelectric figure of merit for systems 1 (x = 12.5%) and 4 (x = 25%).
Variation of the thermoelectric figure of merit with the doping.
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