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Updated: Feb 21, 2026

Monolayer Contact Doping of Silicon Surfaces and Nanowires Using Organophosphorus Compounds
Published on: December 2, 2013
Doping disorder and the reduction-doping process in LiSrPO4
Ricardo D S Santos1, Marcos V Dos S Rezende
1Grupo de Nanomateriais Funcionais, Departamento de Física, Universidade Federal de Sergipe, 49100-000, São Cristóvão, SE, Brazil.
Abstract:
A systematic theoretical study was performed on trivalent and divalent rare-earth (RE) dopant ions in the LiSrPO4 structure, using atomistic simulations based on lattice energy minimization. It was found that RE3+ and RE2+ ions are most energetically favorable for incorporation at the Sr site. For RE3+ ion incorporation, charge compensation by vacancies or anti-site defects are both probable. In order to investigate the reduction-doping process (Europium reduction), two schemes (open atmosphere and H2 reducing atmosphere) were considered. A H2 reduction atmosphere was found to be the most effective agent for Eu reduction. Results reveal that the most probable charge compensation mechanism and the host site preference for rare-earth doping ions play important roles in the investigation of the mechanism of the luminescence properties of LiSrPO4.
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