First Principles Study of La-Doped ZnTe on Electrical Properties
The band structure and the intensity of states of La-doped ZnTe were obtained using the plane wave ultra soft pseudo potential method based on density functional theory (DFT) and generalized gradient approximation (GGA) according to the generally used design of the low resistance Ohmic contact in CdS/CdTe solar cells. We analyzed the electrical properties in the aspect of conductivity, which was improved by the lager electron effective mass and the high level of carrier concentration. In addition, the lattice constant of La-doped ZnTe increased, and La-doped leads to the ZnTe semiconductor degeneration.
Z. Q. Xia and R. P. Li, "First Principles Study of La-Doped ZnTe on Electrical Properties", Applied Mechanics and Materials, Vol. 161, pp. 11-14, 2012