@article{ART003348597},
author={San Ha Choi and Jang Sung Woo and Won Bin Im},
title={Rietveld refinement-guided insights into local distortion and emission color tunability in lead-free zero-dimensional metal halides},
journal={Journal of the Korean Crystal Growth and Crystal Technology},
issn={1225-1429},
year={2026},
volume={36},
number={2},
pages={57-63},
doi={10.6111/JKCGCT.2026.36.2.057}
TY - JOUR
AU - San Ha Choi
AU - Jang Sung Woo
AU - Won Bin Im
TI - Rietveld refinement-guided insights into local distortion and emission color tunability in lead-free zero-dimensional metal halides
JO - Journal of the Korean Crystal Growth and Crystal Technology
PY - 2026
VL - 36
IS - 2
PB - The Korea Association Of Crystal Growth, Inc.
SP - 57
EP - 63
SN - 1225-1429
AB - Understanding emission color tunability in lead-free zero-dimensional (0D) metal halides is essential for the rational design of eco-friendly luminescent materials. In this review, we summarize recent progress in correlating local octahedral distortion with photoluminescence behavior in Sb3+-doped Cs3LnCl6 (Ln = La, Gd, Y, Lu) and related systems through Rietveld refinement analysis. Although chemical substitution with smaller Ln3+ ions induces lattice contraction, accumulated studies consistently show that emission peak shifts do not directly scale with unit cell volume. Instead, growing evidence indicates that the dispersion of Sb-Cl bond lengths within SbCl6 octahedra plays a dominant role in emission tuning. Key distortion descriptors, including the distortion index (D), exhibit clear correlations with emission energy and spectral bandwidth. We further compare chemical pressure effects with external pressure studies, revealing a unified structural mechanism governing emission tuning in Cs2ZrCl6:Sb3+ composition. Electronic structure analyses confirm that the SbCl6 coordination environment influences both the band-edge positions and the stabilization of self-trapped excitons (STEs). This review provides a quantitative framework for using Rietveld refinement as a powerful tool to elucidate structure–property relationships in lead-free luminescent halides and outlines future design strategies based on local coordination control.
KW - Self-trapped emission;Local distortion;Zero-dimensional metal halides;Color tunability;Rietveld refinement
DO - 10.6111/JKCGCT.2026.36.2.057
ER -
San Ha Choi, Jang Sung Woo and Won Bin Im. (2026). Rietveld refinement-guided insights into local distortion and emission color tunability in lead-free zero-dimensional metal halides. Journal of the Korean Crystal Growth and Crystal Technology, 36(2), 57-63.
San Ha Choi, Jang Sung Woo and Won Bin Im. 2026, "Rietveld refinement-guided insights into local distortion and emission color tunability in lead-free zero-dimensional metal halides", Journal of the Korean Crystal Growth and Crystal Technology, vol.36, no.2 pp.57-63. Available from: doi:10.6111/JKCGCT.2026.36.2.057
San Ha Choi, Jang Sung Woo, Won Bin Im "Rietveld refinement-guided insights into local distortion and emission color tunability in lead-free zero-dimensional metal halides" Journal of the Korean Crystal Growth and Crystal Technology 36.2 pp.57-63 (2026) : 57.
San Ha Choi, Jang Sung Woo, Won Bin Im. Rietveld refinement-guided insights into local distortion and emission color tunability in lead-free zero-dimensional metal halides. 2026; 36(2), 57-63. Available from: doi:10.6111/JKCGCT.2026.36.2.057
San Ha Choi, Jang Sung Woo and Won Bin Im. "Rietveld refinement-guided insights into local distortion and emission color tunability in lead-free zero-dimensional metal halides" Journal of the Korean Crystal Growth and Crystal Technology 36, no.2 (2026) : 57-63.doi: 10.6111/JKCGCT.2026.36.2.057
San Ha Choi; Jang Sung Woo; Won Bin Im. Rietveld refinement-guided insights into local distortion and emission color tunability in lead-free zero-dimensional metal halides. Journal of the Korean Crystal Growth and Crystal Technology, 36(2), 57-63. doi: 10.6111/JKCGCT.2026.36.2.057
San Ha Choi; Jang Sung Woo; Won Bin Im. Rietveld refinement-guided insights into local distortion and emission color tunability in lead-free zero-dimensional metal halides. Journal of the Korean Crystal Growth and Crystal Technology. 2026; 36(2) 57-63. doi: 10.6111/JKCGCT.2026.36.2.057
San Ha Choi, Jang Sung Woo, Won Bin Im. Rietveld refinement-guided insights into local distortion and emission color tunability in lead-free zero-dimensional metal halides. 2026; 36(2), 57-63. Available from: doi:10.6111/JKCGCT.2026.36.2.057
San Ha Choi, Jang Sung Woo and Won Bin Im. "Rietveld refinement-guided insights into local distortion and emission color tunability in lead-free zero-dimensional metal halides" Journal of the Korean Crystal Growth and Crystal Technology 36, no.2 (2026) : 57-63.doi: 10.6111/JKCGCT.2026.36.2.057
