Identifying Optimal Strain in Bismuth Telluride Thermoelectric Film by Combinatorial Gradient Thermal Annealing and Machine Learning

The thermoelectric properties of bismuth telluride thin film (BTTF) was tuned by inducing internal strain through a combination of combinatorial gradient thermal annealing (COGTAN) and machine learning. BTTFs were synthesized via magnetron sputter coating and then treated by COGTAN. The crystal structure and thermoelectric properties, namely Seebeck coefficient and thermal conductivity, of the treated samples were analyzed via micropoint X-ray diffraction and scanning thermal probe microimaging, respectively. The obtained combinatorial data reveals the correlation between internal strain and the thermoelectric properties. The Seebeck coefficient of BTTF exhibits largest sensitivity, where the value ranges from 7.9 to -108 μV/K. To further explore the possibility to enhance Seebeck coefficient, the combinatorial data were subjected to machine learning. The trained model predicts that optimal strains of 3-4% and 1-2% along the a- and c-axis, respectively, significantly improve Seebeck coefficient. The technique demonstrated herein can be used to predict and enhance the performance of thermoelectric materials by inducing internal strain.