Ab initio site occupancy and far-red emission of Mn4+ in cubic-phase La(MgTi)1/2O3 for plant cultivation

Ziwei Zhou, Jiming Zheng, Rui Shi, Niumiao Zhang, Jiayu Chen, Ruoyu Zhang, Hao Suo, Ewa M. Goldys, Chongfeng Guo*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

290 Citations (Scopus)


Mn4+-activated oxide phosphors La(MgTi)1/2O3 (LMT) with far-red emitting were prepared via a sol-gel route. The structures of samples were determined by X-ray diffraction (XRD) and Reitveld refinement. The occupied sites of Mn4+ (d3 electronic configuration) in host La(MgTi)1/2O3 were confirmed by ab initio calculations in which the system has the lower formation energy, stable lattice structure, and strong bonding state as Mn4+ enters into Ti site. The luminescent properties of Mn4+-doped samples were investigated; the samples emit far-red light centered at 708 nm with ultraviolet light (345 nm) or blue light (487 nm) excitation. According to the photoluminescence (PL) and excitation (PLE) spectra, the crystal field strength of the Mn4+-occupied environment was estimated. The thermal stability of phosphor was also evaluated through temperature-dependent PL intensity in a heating and cooling cycle process. The emission band is well-matched with the absorption band of phytochrome PFR under the excitation of light in near-ultraviolet to blue, which suggests that the LMT: Mn4+ phosphor has great potential applications in light-emitting diodes (LEDs) for modulating plant growth.

Original languageEnglish
Pages (from-to)6177-6185
Number of pages9
JournalACS Applied Materials and Interfaces
Issue number7
Publication statusPublished - 22 Feb 2017


  • far-red emission
  • LEDs
  • phosphor
  • phytochrome
  • plant growth


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