| Baga4se7: a new congruent-melting ir nonlinear optical material | |
| Yao, Jiyong1,2; Mei, Dajiang1,2,3; Bai, Lei1,2; Lin, Zheshuai1,2; Yin, Wenlong1,2,3; Fu, Peizhen1,2; Wu, Yicheng1,2 | |
| 刊名 | Inorganic chemistry
 |
| 2010-10-18 | |
| 卷号 | 49期号:20页码:9212-9216 |
| ISSN号 | 0020-1669 |
| DOI | 10.1021/ic1006742 |
| 通讯作者 | Wu, yicheng(ycwu@mail.ipc.ac.cn) |
| 英文摘要 | The new compound baga4se7 has been synthesized for the first time. it crystallizes in the monoclinic space group pc with a = 7.6252 (15) angstrom, b =6.5114 (13) angstrom, c = 14.702 (4) angstrom, beta = 121.24 (2)degrees, and z= 2. in the structure, gase4 tetrahedra share corners to form a three-dimensional framework with cavities occupied by ba2+ cations. the material is a wide-band gap semiconductor with the visible and ir optical absorption edges being 0.47 and 18.0 mu m, respectively. baga4se7 melts congruently at 968 degrees c and exhibits a second harmonic generation response at 1 mu m that is approximately 2-3 times that of the benchmark material aggas2. a first-principles calculation of the electronic structure, linear and nonlinear optical properties of baga4se7 was performed. the calculated birefractive index delta n = 0.08 at 1 mu m and the major shg tensor elements are: d(11) =18.2 pm/v and d(13) = 20.6 pm/v. this new material is a very promising nlo crystal for practical application in the ir region. |
| WOS关键词 | 2ND-HARMONIC GENERATION ; CRYSTAL ; PSEUDOPOTENTIALS ; CAGA6TE10 ; POLYMER ; ZNGEP2 ; GROWTH ; SE ; TE |
| WOS研究方向 | Chemistry |
| WOS类目 | Chemistry, Inorganic & Nuclear |
| 语种 | 英语 |
| 出版者 | AMER CHEMICAL SOC |
| WOS记录号 | WOS:000282783400019 |
| 内容类型 | 期刊论文 |
| URI标识 | http://www.corc.org.cn/handle/1471x/2413811 |
| 专题 | 中国科学院大学 |
| 通讯作者 | Wu, Yicheng |
| 作者单位 | 1.Chinese Acad Sci, Tech Inst Phys & Chem, Ctr Crystal Res & Dev, Beijing 100190, Peoples R China 2.Chinese Acad Sci, Key Lab Funct Crystals & Laser Technol, Beijing 100190, Peoples R China 3.Chinese Acad Sci, Grad Univ, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Yao, Jiyong,Mei, Dajiang,Bai, Lei,et al. Baga4se7: a new congruent-melting ir nonlinear optical material[J]. Inorganic chemistry,2010,49(20):9212-9216. |
| APA | Yao, Jiyong.,Mei, Dajiang.,Bai, Lei.,Lin, Zheshuai.,Yin, Wenlong.,...&Wu, Yicheng.(2010).Baga4se7: a new congruent-melting ir nonlinear optical material.Inorganic chemistry,49(20),9212-9216. |
| MLA | Yao, Jiyong,et al."Baga4se7: a new congruent-melting ir nonlinear optical material".Inorganic chemistry 49.20(2010):9212-9216. |
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