非线性光学晶体Ba_2B_5O_9Cl的合成、性能及电子结构的研究

陈兆慧; 符继红; 高晶

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非线性光学晶体Ba_2B_5O_9Cl的合成、性能及电子结构的研究

更新时间：2026-01-21

- 非线性光学晶体Ba_2B_5O_9Cl的合成、性能及电子结构的研究
- Journal of Xinjiang University (Natural Science Edition in Chinese and English) Vol. 31, Issue 4, Pages: 383-387(2014)
- 作者机构：
  
  新疆大学理化测试中心
- 作者简介：
- 基金信息：
- DOI：
  CLC： O437
- Published：2014
- 稿件说明：
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[1]陈兆慧,符继红,高晶.非线性光学晶体Ba_2B_5O_9Cl的合成、性能及电子结构的研究[J].新疆大学学报(自然科学版),2014,31(04):383-387+505.

陈兆慧, 符继红, 高晶. 非线性光学晶体Ba_2B_5O_9Cl的合成、性能及电子结构的研究[J]. Journal of Xinjiang University (Natural Science Edition in Chinese and English), 2014, 31(4): 383-387.
[1]陈兆慧,符继红,高晶.非线性光学晶体Ba_2B_5O_9Cl的合成、性能及电子结构的研究[J].新疆大学学报(自然科学版),2014,31(04):383-387+505. DOI：

陈兆慧, 符继红, 高晶. 非线性光学晶体Ba_2B_5O_9Cl的合成、性能及电子结构的研究[J]. Journal of Xinjiang University (Natural Science Edition in Chinese and English), 2014, 31(4): 383-387. DOI：

摘要

用顶部籽晶法生长出尺寸为12 mm×13 mm×5 mm的Ba2B5O9Cl透明单晶.通过熔融前后的XRD分析

确定该化合物为非同成分熔融化合物

属于正交晶系

空间群Pnn2

晶胞参数为a=1.157 6(2)nm

b=1.1619(2)nm

c=0.668 74(13)nm

V=0.899 4(3)nm3

Z=4.该晶体具有三维网状的结构

二阶倍频效应约为KDP的3.5倍

对该化合物的电子结构及键价进行了计算.

Abstract

Single crystals of Ba2B5O9 Cl with sizes up to 12 mm × 13 mm × 5 mm have been grown by top seeded solution growth method. The XRD experiments of before and after melting proved that Ba2B5O9 Cl melts incongruently. It crystallizes in the orthorhombic system

space group P nn2

with unitcell parametersa=1.157 6(2) nm

b=1.161 9(2) nm

c= 0.668 74(13) nm

V =0.899 4(3) nm3

Z=4. It exhibits a three-dimensional network structure and second harmonic generation efficiency of Ba2B5O9 Cl is about 3.5times that of KDP. Electronic Structure and bond valence are also be calculated on the reported material.

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references

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