Multiemission of Ce3+ from a Single Crystallographic Site Induced by Disordering of Ions

Takuya Yasunaga; Makoto Kobayashi; Kenji Oqmhula; Huan Qi; Tom Ichibha; Kenta Hongo; Shunsuke Yamamoto; Ryo Maezono; Masaya Mitsuishi; Minoru Osada; Hideki Kato; Masato Kakihana

doi:10.1021/acs.inorgchem.3c03789

Multiemission of Ce³⁺ from a Single Crystallographic Site Induced by Disordering of Ions

Inorg Chem. 2024 Jan 15;63(2):1288-1295. doi: 10.1021/acs.inorgchem.3c03789. Epub 2024 Jan 4.

Authors

Takuya Yasunaga¹, Makoto Kobayashi², Kenji Oqmhula³, Huan Qi³, Tom Ichibha³, Kenta Hongo⁴, Shunsuke Yamamoto⁵, Ryo Maezono³, Masaya Mitsuishi⁵, Minoru Osada^{2

6}, Hideki Kato¹, Masato Kakihana^{1

7}

Affiliations

¹ Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, Miyagi 980-8577, Japan.
² Institute of Materials and Systems for Sustainability, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8601, Japan.
³ School of Information Science, JAIST (Japan Advanced Institute of Science and Technology), Asahidai 1-1, Nomi, Ishikawa 923-1292, Japan.
⁴ Research Center for Advanced Computing Infrastructure, JAIST (Japan Advanced Institute of Science and Technology), Asahidai 1-1, Nomi, Ishikawa 923-1292, Japan.
⁵ Graduate School of Engineering, Tohoku University, 6-6-11, Aramaki Aza Aoba, Aoba-ku, Sendai 980-8579, Japan.
⁶ Research Center for Crystalline Materials Engineering, Nagoya University, Nagoya 464-8601, Japan.
⁷ Institute of Scientific and Industrial Research, Osaka University, 8-1 Mihogaoka, Ibaraki, Osaka 567-0047, Japan.

PMID: 38175191
DOI: 10.1021/acs.inorgchem.3c03789

Abstract

White-light emission with a single activator is an attractive function of phosphors. In this work, we investigated the photoluminescence properties of Ca_5.7Y_1.3Si₇O_16.7N_3.3, which is a compound denoted as Ca_4+xY_3-xSi₇O_15+xN_5-x discovered by our group, with Ce-activation using optical measurements and density functional theory (DFT) calculation. Samples showed a tunable emission from purple to white under ultraviolet (UV) light. In this compound, Ca and Y as well as anions are distributed disorderly, and Ca/Y ions occupy two crystallographically distinct sites; those sites are possible sites for Ce substitution. DFT calculation and structural refinement revealed that the tunable emission was generated by Ce at the crystallographically equivalent site but with distinct local structures caused by the disordering of cations and anions. As far as we know, this is the first report about a white-light-emitting phosphor with only Ce activation.