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Title: Doping Y 2O 3 with Mn 4+ for energy-efficient lighting

Developing energy-efficient LEDs that emit warm white light requires new red phosphors with appropriate emission wavelengths and band widths. Mn 4+-activated Y 2O 3 is a potential red LED phosphor with narrow emission and improved emission wavelength compared to previously known Mn 4+-activated oxide phosphors. Here in this work, the dopability and the oxidation state of Mn in Y 2O 3 are investigated based on the formation energies of native defects, Mn dopants, and divalent co-dopants (i.e., Ca, Sr, Cd, and Zn) calculated using hybrid density functional theory. We found that Mn 4+ is difficult to form in Y 2O 3 without co-doping. Stabilizing Mn 4+ on Y 3+ sites (forming Mn + Y donors) requires the co-doping of compensating acceptors (Ca or Sr) in oxygen-rich growth environments.
Authors:
ORCiD logo [1] ; ORCiD logo [2] ; ORCiD logo [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division; Beihang Univ., Beijing (United States). Dept. of Physics, Key Laboratory of Micro-Nano Measurement-Manipulation and Physics
Publication Date:
Grant/Contract Number:
AC05-00OR22725
Type:
Accepted Manuscript
Journal Name:
Journal of Materials Chemistry C
Additional Journal Information:
Journal Volume: 6; Journal Issue: 15; Journal ID: ISSN 2050-7526
Publisher:
Royal Society of Chemistry
Research Org:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org:
USDOE Office of Energy Efficiency and Renewable Energy (EERE)
Country of Publication:
United States
Language:
English
Subject:
32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATION
OSTI Identifier:
1435233
Alternate Identifier(s):
OSTI ID: 1434162

Ming, Wenmei, Shi, Hongliang, and Du, Mao-Hua. Doping Y2O3 with Mn4+ for energy-efficient lighting. United States: N. p., Web. doi:10.1039/C8TC01154K.
Ming, Wenmei, Shi, Hongliang, & Du, Mao-Hua. Doping Y2O3 with Mn4+ for energy-efficient lighting. United States. doi:10.1039/C8TC01154K.
Ming, Wenmei, Shi, Hongliang, and Du, Mao-Hua. 2018. "Doping Y2O3 with Mn4+ for energy-efficient lighting". United States. doi:10.1039/C8TC01154K.
@article{osti_1435233,
title = {Doping Y2O3 with Mn4+ for energy-efficient lighting},
author = {Ming, Wenmei and Shi, Hongliang and Du, Mao-Hua},
abstractNote = {Developing energy-efficient LEDs that emit warm white light requires new red phosphors with appropriate emission wavelengths and band widths. Mn4+-activated Y2O3 is a potential red LED phosphor with narrow emission and improved emission wavelength compared to previously known Mn4+-activated oxide phosphors. Here in this work, the dopability and the oxidation state of Mn in Y2O3 are investigated based on the formation energies of native defects, Mn dopants, and divalent co-dopants (i.e., Ca, Sr, Cd, and Zn) calculated using hybrid density functional theory. We found that Mn4+ is difficult to form in Y2O3 without co-doping. Stabilizing Mn4+ on Y3+ sites (forming Mn+Y donors) requires the co-doping of compensating acceptors (Ca or Sr) in oxygen-rich growth environments.},
doi = {10.1039/C8TC01154K},
journal = {Journal of Materials Chemistry C},
number = 15,
volume = 6,
place = {United States},
year = {2018},
month = {3}
}

Works referenced in this record:

Assessment of correction methods for the band-gap problem and for finite-size effects in supercell defect calculations: Case studies for ZnO and GaAs
journal, December 2008

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999