Properties of Bismuth Telluride Nanomaterials: A Computer Simulation Study

H Wu and R Li, JOURNAL OF NANOELECTRONICS AND OPTOELECTRONICS, 12, 1199-1202 (2017).

DOI: 10.1166/jno.2017.2270

In this paper, the bismuth telluride nanomaterials were prepared by vapor deposition process. The crystal properties of prepared bismuth telluride material was examined by X-ray diffraction (XRD) pattern and its energy band diagram was simulated by computer. Further, the influence of temperature on the mechanical properties of bismuth telluride nanomaterials was analyzed by molecular dynamic method. The results showed that the bismuth telluride nanomaterials obtained in this experiment were pure and had good lattice orientation. The simulation studies revealed that with the increase of temperature, the elastic modulus and bulk modulus of bismuth telluride nanomaterials decreased, indicating that it possess good mechanical stability at low and middle temperature while the Poisson's ratio slightly increased. Thus it can be concluded that bismuth telluride has good stability but relatively poor toughness and ductility at 0-400 k. This paper provide a theoretical basis for the wide application of bismuth telluride nanomaterials.

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