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Peer-reviewedCC BY 4.0Advanced Science

Potassium‐Impurity‐Modulated Self‐Trapped Excitons and Energy Transfer in Phase‐Separated, Mn4+‐Doped Li2HfF6

  • Menuka Adhikari1
  • Thomas Murray1
  • Cameron J. Lewis1
  • Jett Wu1
  • Hari Adhikari2
  • Cheng Li3
  • Jianguo Wen2
  • Hui Wu4
  • Zhiping Luo1
4 affiliations
  1. 1Department of Chemistry, Physics, and Materials Science Fayetteville State University Fayetteville North Carolina USA
  2. 2Center for Nanoscale Materials Argonne National Laboratory Lemont Illinois USA
  3. 3Neutron Scattering Division Oak Ridge National Laboratory Oak Ridge Tennessee USA
  4. 4NIST Center for Neutron Research National Institute of Standards and Technology Gaithersburg Maryland USA
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Abstract

Self‐trapped excitons (STEs) play an important role in the luminescence of halide materials, yet their formation and manipulation in complex fluorides remain largely underexplored. Here, Mn4+‐doped Li2HfF6 phosphors were synthesized by room‐temperature coprecipitation to investigate impurity‐modulated STEs and their role in Mn4+ sensitization. High‐resolution neutron powder diffraction reveals impurity‐associated phase separation into two closely related Li2HfF6 lattices. Photoluminescence and cathodoluminescence measurements resolve two broad host‐emission components: STE1, assigned to intrinsic Li2HfF6, and redshifted STE2, associated with a K‐containing lattice. Under high‐energy cathodoluminescence excitation, enhanced Mn4+ red emission correlates with STE2 emission but not with STE1 emission, supporting a selective STE2 → Mn4+ energy‐transfer pathway. Density functional theory ΔSCF (self‐consistent field) calculations yield distinct relaxed STE1 and STE2 configurations, confirming the K‐induced redshift of the STE emission. These results identify K‐associated STE2 as a key sensitizing state for Mn4+ luminescence, establishing impurity modulation as an effective strategy for tuning excitonic emission and host‐to‐activator energy transfer in complex fluoride phosphors.

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Cite

BibTeXRIS
BibTeX
@article{adhikari2026potassiumimpuritymodulated,
  title = {{Potassium‐Impurity‐Modulated Self‐Trapped Excitons and Energy Transfer in Phase‐Separated, Mn4+‐Doped Li2HfF6}},
  author = {Menuka Adhikari and Thomas Murray and Cameron J. Lewis and Jett Wu and Hari Adhikari and Cheng Li and Jianguo Wen and Hui Wu and Zhiping Luo},
  journal = {Advanced Science},
  year = {2026},
  month = oct,
  doi = {10.1002/advs.78338},
  url = {https://doi.org/10.1002/advs.78338},
  note = {CC BY 4.0},
}
RIS
TY  - JOUR
TI  - Potassium‐Impurity‐Modulated Self‐Trapped Excitons and Energy Transfer in Phase‐Separated, Mn4+‐Doped Li2HfF6
AU  - Menuka Adhikari
AU  - Thomas Murray
AU  - Cameron J. Lewis
AU  - Jett Wu
AU  - Hari Adhikari
AU  - Cheng Li
AU  - Jianguo Wen
AU  - Hui Wu
AU  - Zhiping Luo
PY  - 2026
DA  - 2026/10/27
JO  - Advanced Science
DO  - 10.1002/advs.78338
UR  - https://doi.org/10.1002/advs.78338
AB  - Self‐trapped excitons (STEs) play an important role in the luminescence of halide materials, yet their formation and manipulation in complex fluorides remain largely underexplored. Here, Mn4+‐doped Li2HfF6 phosphors were synthesized by room‐temperature coprecipitation to investigate impurity‐modulated STEs and their role in Mn4+ sensitization. High‐resolution neutron powder diffraction reveals impurity‐associated phase separation into two closely related Li2HfF6 lattices. Photoluminescence and cathodoluminescence measurements resolve two broad host‐emission components: STE1, assigned to intrinsic Li2HfF6, and redshifted STE2, associated with a K‐containing lattice. Under high‐energy cathodoluminescence excitation, enhanced Mn4+ red emission correlates with STE2 emission but not with STE1 emission, supporting a selective STE2 → Mn4+ energy‐transfer pathway. Density functional theory ΔSCF (self‐consistent field) calculations yield distinct relaxed STE1 and STE2 configurations, confirming the K‐induced redshift of the STE emission. These results identify K‐associated STE2 as a key sensitizing state for Mn4+ luminescence, establishing impurity modulation as an effective strategy for tuning excitonic emission and host‐to‐activator energy transfer in complex fluoride phosphors.
SN  - 2198-3844
ER  -