Temperature effects on the energy bandgap and conductivity effective masses of charge carriers in lead telluride from first-principles calculations
Year: 2014
Type: article
Abstract: We determined the temperature effects on the electronic properties of lead telluride (PbTe) such as the energy bandgap and the effective masses of charge carriers by incorporating the structural changes of the material with temperature using ab-initio density functional theory (DFT) calculations. Though the first-principles DFT calculations are done at absolute zero temperatures, by incorporating the lattice thermal expansion and the distortion of Pb2+ ions from the equilibrium positions, we could determine the stable structural configuration of the PbTe system at different temperatures.
Source: Journal of Applied Physics
DOI: 10.1063/1.4887071
Authors: S. Venkatapathi, B. Dong, C. Hin
Institution: Virginia Tech
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: bronze
OpenAlex ID: W2064409391