Electronic structure of intrinsic defects and mechanism of donor-acceptor pair luminescence in CuI crystal
Year: 2006
Type: article
Abstract: The electronic structures of γ phase copper iodide crystal and the intrinsic point defects associated with iodine and copper have been studied with relativistic density functional theory and embedded cluster method. The simulations for point defects show that the tetrahedron interstitial copper atoms and copper vacancies may lead to the shallow donor and acceptor levels in the energy gap, which is related with the origins of the broad donor-acceptor pair recombination luminescence band 420—430 nm of CuI crystal.
Source: Acta Physica Sinica
DOI: 10.7498/aps.55.6574
Authors: Liu Hai-Lan, Gu Mu, Zhang Rui, Xu Rong-Kun, Li Guang-Wu, Ouyang Xiao-Ping, (1)同济大学波耳固体物理研究所，上海 200092; (2)西北核技术研究所，西安 710024; (3)中国工程物理研究院核物理与化学研究所，绵阳 621900; (4)中国原子能科学研究院，北京 102413
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: hybrid
OpenAlex ID: W577274365