Computational discovery of lanthanide doped and Co-doped Y3Al5O12 for optoelectronic applications
Creators
- 1. Department of Materials Science and Engineering, University of Florida, Gainesville, Florida 32611-6400 (United States)
- 2. Department of Materials Science and Engineering, Cornell University, Ithaca, New York 14853 (United States)
- 3. Department of Materials Science and Engineering, North Carolina State University, Raleigh, North Carolina 27695-7907 (United States)
Description
We systematically elucidate the optoelectronic properties of rare-earth doped and Ce co-doped yttrium aluminum garnet (YAG) using hybrid exchange-correlation functional based density functional theory. The predicted optical transitions agree with the experimental observations for single doped Ce:YAG, Pr:YAG, and co-doped Er,Ce:YAG. We find that co-doping of Ce-doped YAG with any lanthanide except Eu and Lu lowers the transition energies; we attribute this behavior to the lanthanide-induced change in bonding environment of the dopant atoms. Furthermore, we find infrared transitions only in case of the Er, Tb, and Tm co-doped Ce:YAG and suggest Tm,Ce:YAG and Tb,Ce:YAG as possible functional materials for efficient spectral up-conversion devices
Additional details
Identifiers
- DOI
- 10.1063/1.4929434;
Publishing Information
- Journal Title
- Applied Physics Letters
- Journal Volume
- 107
- Journal Issue
- 11
- Journal Page Range
- p. 112109-112109.5
- ISSN
- 0003-6951
- CODEN
- APPLAB
INIS
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 47052066
- Subject category
- S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
- Descriptors DEI
- ALUMINIUM; DENSITY FUNCTIONAL METHOD; DOPED MATERIALS; GARNETS; NEODYMIUM LASERS; RARE EARTHS; YTTRIUM
- Descriptors DEC
- CALCULATION METHODS; ELEMENTS; LASERS; MATERIALS; METALS; MINERALS; SILICATE MINERALS; SOLID STATE LASERS; TRANSITION ELEMENTS; VARIATIONAL METHODS
Optional Information
- Notes
- (c) 2015 AIP Publishing LLC