Density functional theory calculations, growth, structure, and optical properties of birefringent LiNaV2O6
Kong, QR (Kong, Qingrong); Yang, Y (Yang, Yun); Liu, LL (Liu, Lili); Bian, Q (Bian, Qiang); Lei, BH (Lei, Bing-Hua); Li, LP (Li, Linping); Yang, ZH (Yang, Zhihua); Su, Z (Su, Zhi); Pan, SL (Pan, Shilie)
2016
Source PublicationJOURNAL OF MATERIALS RESEARCH
ISSN0884-2914
Volume31Issue:4Pages:488-494
Abstract

A congruent melting compound LiNaV2O6 has been synthesized by high-temperature solution reaction and it has been grown with sizes up to 11 x 6 x 2 mm(3) by the top-seeded growth method for the first time. LiNaV2O6 crystallizes in the monoclinic system with space group C2/c, with a = 10.184(2) angstrom, b = 9.067(2) angstrom, c = 5.8324(11) angstrom, = 108.965(14)degrees. UV-Vis-NIR diffuse reflectance spectrum of LiNaV2O6 shows that it has a wide transmittance range from 385 to 2500 nm. The ab initio calculations show that the birefringence of LiNaV2O6 is 0.136 at 589.3 nm. Therefore, LiNaV2O6 may be a new birefringent material. Based on the analysis of the relationship between crystal structure and linear optical properties, it is found that the large birefringence is attributed to the particular arrangement of V-O anionic groups.

KeywordStructural Crystal Growth Differential Thermal Analysis (Dta)
DOI10.1557/jmr.2016.29
Indexed BySCI
WOS IDWOS:000371706500008
Citation statistics
Cited Times:3[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.xjipc.cas.cn/handle/365002/4679
Collection中国科学院特殊环境功能材料与器件重点试验室
材料物理与化学研究室
Affiliation1.Xinjiang Normal Univ, Coll Chem & Chem Engn, Urumqi 830054, Peoples R China
2.Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, Key Lab Funct Mat & Devices Special Environm, Xinjiang Key Lab Elect Informat Mat & Devices, Urumqi 830011, Peoples R China
Recommended Citation
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Kong, QR ,Yang, Y ,Liu, LL ,et al. Density functional theory calculations, growth, structure, and optical properties of birefringent LiNaV2O6[J]. JOURNAL OF MATERIALS RESEARCH,2016,31(4):488-494.
APA Kong, QR .,Yang, Y .,Liu, LL .,Bian, Q .,Lei, BH .,...&Pan, SL .(2016).Density functional theory calculations, growth, structure, and optical properties of birefringent LiNaV2O6.JOURNAL OF MATERIALS RESEARCH,31(4),488-494.
MLA Kong, QR ,et al."Density functional theory calculations, growth, structure, and optical properties of birefringent LiNaV2O6".JOURNAL OF MATERIALS RESEARCH 31.4(2016):488-494.
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