Lattice Dynamics of Bi1.9Dy0.1Te3 Topological Insulator

Abstract

In this report, we have investigated the Density functional theory (DFT) calculation, temperature-dependent thermoelectric power and Raman spectroscopy of Bi1.9Dy0.1Te3 topological insulator (TI). In this system, discrepancy due to the rare earth ion Dy initiates a Red-shift in Raman active modes in the Bi2Te3 TI. Here, the lattice thermal conductivity (κL) was evaluated in the Umklapp scattering limit using the temperature dependency of the vibrational phonon modes and was used to evaluate the Figure of merit (ZT) of the system. It has been demonstrated that the estimated Power factor and ZT is very large, confirming the efficiency of Bi1.9Dy0.1Te3 for better thermoelectric and electronic applications. Such immense thermoelectric power value of the corresponding system was further supported by the DFT calculation. © 2022