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Linear and nonlinear optical properties of aluminum borate crystal Al5BO9: Experiment and calculation

Published online by Cambridge University Press:  27 July 2015

Donghai An ,
Min Zhang ,
Danni Li ,
Shilie Pan ,
Huimin Chen ,
Zhihua Yang ,
Yingtao Zhu ,
Yi Sun ,
Hui Zhang  and
Yangyang Li
Donghai An*
Affiliation:
Department of Physics, Changji University, Changji 831100, China; and Key Laboratory of Functional Materials and Devices for Special Environments of CAS, Xinjiang Technical Institute of Physics & Chemistry of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, Urumqi 830011, China
Min Zhang*
Affiliation:
Key Laboratory of Functional Materials and Devices for Special Environments of CAS, Xinjiang Technical Institute of Physics & Chemistry of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, Urumqi 830011, China
Danni Li
Affiliation:
Key Laboratory of Functional Materials and Devices for Special Environments of CAS, Xinjiang Technical Institute of Physics & Chemistry of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, Urumqi 830011, China; and University of the Chinese Academy of Sciences, Beijing 100049, China
Shilie Pan*
Affiliation:
Key Laboratory of Functional Materials and Devices for Special Environments of CAS, Xinjiang Technical Institute of Physics & Chemistry of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, Urumqi 830011, China
Huimin Chen*
Affiliation:
Department of Physics, Changji University, Changji 831100, China
Zhihua Yang
Affiliation:
Key Laboratory of Functional Materials and Devices for Special Environments of CAS, Xinjiang Technical Institute of Physics & Chemistry of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, Urumqi 830011, China
Yingtao Zhu
Affiliation:
Department of Physics, Changji University, Changji 831100, China
Yi Sun
Affiliation:
Department of Physics, Changji University, Changji 831100, China
Hui Zhang*
Affiliation:
Key Laboratory of Functional Materials and Devices for Special Environments of CAS, Xinjiang Technical Institute of Physics & Chemistry of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, Urumqi 830011, China; and University of the Chinese Academy of Sciences, Beijing 100049, China
Yangyang Li
Affiliation:
Department of Physics, Changji University, Changji 831100, China
*
a)Address all correspondence to these authors. e-mail: [email protected]
b)e-mail: [email protected]
c)e-mail: [email protected]
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Abstract

A noncentrosymmetric aluminum borate crystal, Al5BO9, was obtained via high-temperature solution method. Considering the structure diversities of Al5BO9, the single crystal structure was cautiously redetermined before the investigation. The fundamental building blocks of the structure are BO3 triangles, AlO4 tetrahedra, and AlO6 octahedra. Since Al5BO9 only consists of strong covalent B–O and Al–O bonds, it is worth investigating the structure–optical property relationship thoroughly, especially the linear and nonlinear optical properties. To gain further insight into the origin of the nonlinear optical response of Al5BO9, the electronic structure calculations, second harmonic generation (SHG)-weighted electron density, and dipole moment of polyhedra were analyzed in detail. All evidences deduced from calculated results indicate that the SHG contribution from the Al–O polyhedra is more pronounced than that of the BO3 group in Al5BO9, which is anticipated to open a window for the search and design of new inorganic materials.

Keywords

optical propertieselectronic structurecrystallographic structure
Type
Articles
Information
Journal of Materials Research , Volume 30 , Issue 15 , 14 August 2015 , pp. 2319 - 2326
Copyright
Copyright © Materials Research Society 2015 

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