First principles study of the effect of spin-orbit coupling on thermoelectric properties of Bismuth telluride

DFT calculations of the structural, elastic, and electronic properties of (Bi1−xFex)2Te3 chalcogenides

“…Figure 4 shows the electronic band structure, along with the high symmetry k points in the first Brillouin zone for Bi 2 Te 3 with and without SOC. The differences in energy between the bottom of the conduction band and the top of the valence band are at Γ point, indicating that Bi 2 Te 3 is a direct band gap semiconductor compound with a value of 0.226 eV without SOC, and with SOC the band gap obtained was 0.138 eV, relatively close to the experimentally and theoretical results published [92][93][94][95]. From figure 4, we can observe that SOC significantly changes and affects the band structure of Bi 2 Te 3 .…”

Strain-induced photocurrent enhancement in thin films of topological insulators (Bi2Te3)

“…0.31 eV. 26 It is noteworthy that the bandgap decreases to a value of 0.24 eV for 801 bending and to 0.18 eV for 1201 bending. These results clearly show that the compressive strain within the BT thin film, upon bending, can successfully alter the bandgap of the film, i.e.…”

“…27,31 Further, when the bending was increased to 1201, the photoresponse decreased as compared to that at 801 bending, which may be due to a decrease in the active region at 1201 bending condition. 25,26 The photoresponse as a function of time under NIR (l = 1064 nm) illumination was monitored while device-2 was at various bending states, as shown in Fig. 3(c).…”