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Article Abstract
Anomalous NIR emission has been reported in Cr-doped SrPO, despite the Cr ions occupying nonstandard nine-coordinated Sr sites. Through first-principles calculations, we demonstrate that these environments induce structural distortions and nonradiative relaxation channels, effectively quenching luminescence. Photoluminescence data and energetic analysis instead attribute the observed emission (∼840 nm) to a coexisting phase, Sr(PO), where Cr substitutes for six-coordinated Sr, which is successfully verified in experiment. Furthermore, a miniature NIR pc-LED incorporating this phosphor enables biomedical imaging and nondestructive inspection, underscoring its practical relevance.
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