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Finding a Deep-UV Borate BaZnB4O8 with Edge-sharing [BO4] Tetrahedra and Strong Optical Anisotropy
被引:9
|作者:
Han, Jian
[1
,2
]
Liu, Kaitong
[1
,2
]
Chen, Long
[2
,3
]
Li, Fuming
[1
,2
]
Yang, Zhihua
[1
,2
]
Zhang, Fangfang
[1
,2
]
Pan, Shilie
[1
,2
]
Mutailipu, Miriding
[1
,2
]
机构:
[1] Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, Res Ctr Crystal Mat, CAS Key Lab Funct Mat & Devices Special Environm, 40-1 South Beijing Rd, Urumqi 830011, Peoples R China
[2] Univ Chinese Acad Sci, Beijing 100049, Peoples R China
[3] Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Inst Phys, Beijing 100190, Peoples R China
基金:
中国国家自然科学基金;
国家重点研发计划;
关键词:
birefringent crystal;
borate;
deep-ultraviolet;
edge-sharing;
optical anisotropy;
GENERALIZED GRADIENT APPROXIMATION;
HIGH-PRESSURE PREPARATION;
CRYSTAL-STRUCTURE;
GROWTH;
OXOBORATE;
RE;
DY;
D O I:
10.1002/chem.202203000
中图分类号:
O6 [化学];
学科分类号:
0703 ;
摘要:
The polarization modulation of deep-UV light is an important process that incorporates functionality to selectively respond to light-mater interaction. Typically, optical anisotropy is foremost to the use efficiency of deep-UV birefringent crystals. Herein, a new congruently melting polyborate with extremely large birefringence (Delta n((001))=0.14@589.3 nm) and band gap (6.89 eV) is discovered as a high performance birefringent crystal, which breaks the current deadlock of deep-UV polyborates that usually show small birefringence. The rigid tetrahedra, including [ZnO4] and edge-sharing [BO4] tetrahedra, make all the planar [BO3] triangles in the lattice adopt preferential arrangement and thereby lead to an extraordinary large birefringence that is larger than all the deep-UV borates with experimentally measured values. Structural analyses with the additional theoretical calculations were used to study the origin of strong optical anisotropy in BaZnB4O8.
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