Studies on the defect structure for Cu2+ in CdSe nanocrystals.
The defect structure for Cu(2+) in CdSe nanocrystals is theoretically studied by analyzing the spin Hamiltonian parameters of this impurity center. This center is ascribed to Cu(2+) occupying the octahedral interstitial site, rather than the tetrahedral substitutional Cd(2+) site proposed by previous work. The Cu(2+) center exhibits slight tetragonal elongation distortion (characterized by the elongation parameter rho approximately 0.03) due to the Jahn-Teller effect. The theoretical spin Hamiltonian parameters and optical transition show good agreement with the experimental data. The above unusual defect structure (occupation and symmetry) for Cu(2+) in CdSe nanocrystals is discussed, as compared with the conventional trigonally distorted tetrahedral Cu(2+) centers in bulk II-VI semiconductors.
Wu
Shao-Yi
SY
Department of Applied Physics, University of Electronic Science and Technology of China, Chengdu, PR China. wushaoyi@netease.com
Zhang
Hua-Ming
HM
Xu
Pei
P
Zhang
Shan-Xiang
SX
D002104:Cadmium / Q000737:chemistry*; D003300:Copper / Q000737:chemistry*; D003460:Crystallization; D008433:Mathematics; D008962:Models, Theoretical; D053758:Nanoparticles / Q000737:chemistry*; D012643:Selenium / Q000737:chemistry*
D002104:Cadmium; D003300:Copper; D012643:Selenium