Top‐seeded growth, optical properties and theoretical studies of noncentrosymmetric Te 2 V 2 O 9 | Zendy

Zhang Wenlin | Zendy; Wang Xiaoqing | Zendy; Shen Guangqiu | Zendy; Shen Dezhong | Zendy

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Top‐seeded growth, optical properties and theoretical studies of noncentrosymmetric Te 2 V 2 O 9

Author(s) -

Zhang Wenlin,

Wang Xiaoqing,

Shen Guangqiu,

Shen Dezhong

Publication year - 2012

Publication title -

crystal research and technology

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.377

H-Index - 64

eISSN - 1521-4079

pISSN - 0232-1300

DOI - 10.1002/crat.201100560

Subject(s) - castep , band gap , density functional theory , infrared , chemistry , wavelength , crystal (programming language) , cutoff , infrared spectroscopy , crystallography , analytical chemistry (journal) , materials science , physics , optics , optoelectronics , computational chemistry , organic chemistry , chromatography , quantum mechanics , computer science , programming language

A single crystal of Te 2 V 2 O 9 with dimensions of 15×15×5 mm 3 has been grown by the top‐seeded growth method. Infrared and transmission spectra indicate the transmission cutoff wavelength of Te 2 V 2 O 9 crystal is about 620 nm in visible region and 6.2 μm in infrared region. In addition, band structure and density of states calculations of Te 2 V 2 O 9 were carried out using the total‐energy code CASTEP based on density functional theory. (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

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