Triple phase structure and electron density analysis of the thermoelectric material Bi_(80)Sb_(20)

摘要

The thermoelectric material Bi_(80)Sb_(20) was grown by high temperature melt-quench growth method and characterized by powder XRD. The Rietveld refinements revealed the presence of Bi_(80)Sb_(20) and also the elemental parents Bi and Sb. All the three phases were analyzed and the electron density distribution and local structure of Bi, Sb and Bi_(80)Sb_(20) were individually studied. The bonding between the atoms was studied using maximum entropy method (MEM). A comparison of 3D and 2D electron density distributions of Bi, Sb and Bi_(80)Sb_(20) on the (110) and (024) planes clearly shows highly concentrated and localized electron clouds in Bi_(80)Sb_(20) supporting the use of BiSb alloy as a thermoelectric material.