Novel antimony phosphates with enlarged birefringence induced by lone pair cations
學年 112
學期 1
出版（發表）日期 2024-01-19
作品名稱 Novel antimony phosphates with enlarged birefringence induced by lone pair cations
作品名稱（其他語言）
著者 Mei Hu; Jialong Wang; Nuerbiye Tuerhong; Zhiyuan Zhang; Qun Jing; Zhaohui Chen; Yonglei Yang; Ming-Hsien Lee
單位
出版者
著錄名稱、卷期、頁數 Dalton Transactions 53(7), p.3777-3385
摘要 Phosphates, whose obvious disadvantage is the relatively small birefringence, can be overcome by the introduction of post-transition metal cations containing stereochemically active lone-pair electrons. In this paper, two new compounds were successfully explored in the A–Sb–P–O system, i.e. Cs2Sb3O(PO4)3 (CsSbPO) and (NH4)2Sb4O2(H2O)(PO4)2[PO3(OH)]2 (NH4SbPOH). Transmission spectra show that CsSbPO has a surprising transmission range with a UV cutoff edge of 213 nm. First-principles calculations show that both compounds have a wide band gap (5.02 eV for CsSbPO and 5.30 eV for NH4SbPOH) and enlarged birefringence (Δn = 0.034@1064 nm for CsSbPO and Δn = 0.045@1064 nm for NH4SbPOH). The results of real-space atom-cutting investigations show that the distorted [SbOx] polyhedra originating from the asymmetric lone pair electrons give the main contribution to the total birefringence and overcome the disadvantage of small birefringence of phosphates but maintain wide transition windows.
關鍵字
語言 en
ISSN 1477-9226; 1477-9234
期刊性質 國外
收錄於 SCI
產學合作
通訊作者
審稿制度 否
國別 GBR
公開徵稿
出版型式 ,電子版
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