Publication Type
Journal
Journal Name
Physical Review B
Publication Date
Page Number
172105
Volume
78
Issue
17
Abstract
First-principles calculations show that Bi on Cd site in CdTe can be either a donor, Bi_Cd+, or an acceptor, Bi_Cd- , depending on the Fermi level. The can bind a substitutional O (O_Te) with large binding energy of 1.40 eV. The calculated (0/-) transition level for B_Cd- - O_Te complex is in good agreement with the observed deep hole trapping level. Bi can also substitute Te to form an acceptor. The amphoteric nature of Bi in CdTe results in the pinning of the Fermi level and the high resistivity. We also discuss the origin of p-type CdTe at high Bi doping level.