Figshare最新文献

{"title":"Partial Congener Substitution Induced Centrosymmetricnto Noncentrosymmetric Transformation Witnessed by K<sub>3</sub>Ga<sub>3</sub>(Ge<sub>7–<i>x</i></sub>M<i><sub><i>x</i></sub></i>)Se<sub>20</sub> (M = Si, Sn) and TheirnNonlinear Optical Properties","authors":"Xiao-Hui Li (532491), Nian-Tzu Suen (1509787), Yang Chi (1468987), Yueling Sun (7429313), Anhua Gong (7429316), Huaiguo Xue (1610143), Sheng-Ping Guo (1468981)","doi":"10.1021/acs.inorgchem.9b02113.s001","DOIUrl":"https://doi.org/10.1021/acs.inorgchem.9b02113.s001","url":null,"abstract":"Crystallizing in a noncentrosymmetricn(NCS) structure is the essential requirement for a crystal to be second-ordernnonlinear optical (NLO) active. Here, a simple strategy of partialncongener substitution is introduced to induce transformation of thenknown centrosymmetric K<sub>3</sub>Ga<sub>3</sub>Ge<sub>7</sub>Se<sub>20</sub> (<i>P</i>2<sub>1</sub>/<i>c</i>) tonthe new isostructural NCS species K<sub>3</sub>Ga<sub>3</sub>(Ge<sub>6.17</sub>Sn<sub>0.83</sub>)­Se<sub>20</sub> (<b>1</b>) andnK<sub>3</sub>Ga<sub>3</sub>(Ge<sub>4.95</sub>Si<sub>2.05</sub>)­Se<sub>20</sub> (<b>2</b>) (<i>Pc</i>). Their structuresnfeature a {[Ga<sub>3</sub>(Ge<sub>7–<i>x</i></sub>M<i><sub><i>x</i></sub></i>)­Se<sub>20</sub>]<sup>3–</sup>}<sub>∞</sub> (M = Si, Sn) polyanionic frameworknbuilt from the basic functional motif M′Se<sub>4</sub> (M′n= Ga, Ge, M) tetrahedra, similar to but slightly distorted from thatnof K<sub>3</sub>Ga<sub>3</sub>Ge<sub>7</sub>Se<sub>20</sub>. TheirnNCS structures are verified by the NLO activities. The NLO responsenof <b>1</b> is ∼1/3 times that of the benchmark AgGaS<sub>2</sub> under a 2.1 μm laser radiation, while <b>2</b> exhibits a weak effect, and both are NLO phase-matchable. Theirnoptical band gaps are measured to be 2.02 and 2.12 eV, and they arentransparent in the ranges of 0.61–25 and 0.58–25 μm,nrespectively.","PeriodicalId":522585,"journal":{"name":"Figshare","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147899728","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}