The First-principles Study on the Optical Anisotropy of R3 Space Group Chalcogenides AX2MQ6

来源 :结构化学 | 被引量 : 0次 | 上传用户：hualing_xue

【摘要】

：

In order to explain the opposite phase matchability of two types of newly discovered chalcogenides, AX_2MQ_6 vs AX_4M_5Q_(12) belonging to the same R3 space gro

【作者】

：

YU Ju-Song LIN Hua ZHENG Yu-Ju

【机构】

：

KeyLaboratoryofOptoelectronicMaterialsChemistryandPhysics,（UniversityofChineseAcademyofSciences

【出处】

：

结构化学

【发表日期】

：

2017年9期

【关键词】

：

光学各向异性化合物相空间群第一性原理非线性光学性质几何参数离子半径相位匹配 nonlinear optical property birefri

【基金项目】

：

supported by the National Natural Science Foundation of China（Nos.21233009,90922021,20773130,20733003,20803080,20973175）, the“Knowledge Innovation Program of the Chinese Academy of Sciences”（KJCX2-YW-

下载到本地 , 更方便阅读

下载此文赞助VIP

声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架

论文部分内容阅读

In order to explain the opposite phase matchability of two types of newly discovered chalcogenides, AX_2MQ_6 vs AX_4M_5Q_(12) belonging to the same R3 space group, the linear and nonlinear optical properties are calculated. The calculated Electron Localiz

其他文献

“维纳斯计划”之我见

微软作为一个企业,有为开拓和抢占市场而进行宣传、推广产品的权利。企业的目的是赚钱,这是没有疑问的。手段要合法,还要无损于社会和公众的长远利益,这也是必须考虑的。跨国

期刊

维纳斯计划优势地位跨国公司不良影响大企业长远利益短期利益消费者技术标准产业发展

Thermoelectric Properties of the CuGaTe2 Crystal from First-principles Calculations：the Role of Dopi

The thermoelectric properties of CuGaTe2 crystal are investigated by using the first-principles method and semi-classical Boltzmann theory. We find that the ele

期刊

热电性能P型掺杂工作温度第一原理计算水晶第一原理方法热电性质电子结构thermoelectric materialp-type doping

给电脑一双慧眼吧

所谓的“人类工程学”或“工效学”一直致力于使笨机器更容易为聪明人所用,为什么不是反过来让笨人也能使用聪明机器呢?现在是该让电脑看得见、也听得见的时候了。

期刊

个人电脑录像机人类工程学工效学应用程序电话号码机器界面使用说明书电视节目

Comparative Studies on Two 1,8-Naphthalimide Derivatives with Experimental and Theoretical Methods

Two 1,8-naphthalimide derivatives of 7H-benzimidazo[2,1,-a]benz[de] isoquino- lin-7-one(1) and 4-bromo-7H-benzimidazo[2,1,-a]benz[de]isoquinolin-7-one(2) have b

期刊

胺衍生物萘环实验B3LYPDFT方法苯并咪唑核磁共振氢谱密度泛函理论18-naphthalimidsDFT calculationatom

Identification of host miRNAs that may limit human rhinovirus replication

AIM: To test whether the replication of human rhinovirus(HRV) is regulated by micro RNAs in human bronchial epithelial cells.METHODS: For the present study, the

期刊

HumanRHINOVIRUSMicroRNASMiR-155SiRNALENTIVIRALTRANSDUCTIONANTIVIRALIN

七月流“网”

互联网已经成为我们这个时代最抢眼的主角,身处IT圈的人们对此体会尤深。在刚刚过去的七月IT舞台上,互联网的倩影随处可见。真可谓七月流“网”。

期刊

互联网企业网络时代网民电信资费上网调查报告市场网络信息中心海外上市免费

Signal transducer and activator of transcription 3 regulation by novel binding partners

Signal transducers and activators of transcription(STATs) mediate essential signals for various biological processes,including immune responses,hematopoiesis,an

期刊

JANUSkinase/signalTRANSDUCERandACTIVATORofTRJanus kinase/signal transduce

Synthesis,Crystal Structure and Cytotoxic Activities of 1-（Prop-2-yn-1-yl）-7,8-dihydro-1H-benzo[d][1

The important synthetic precursor(Ⅲ), 1-(prop-2-yn-1-yl)-7,8-dihydro-1Hbenzo[d][1,3]thiazine-2,5(4H,6H)-dione(C_(11)H_(11)NO_2S), was prepared through a three-

期刊

晶体结构细胞毒活性酮衍生物合成NMR分析细胞毒性斜方晶系三组分X-ray diffraction crystal structure 78-d

Hydrothermal Reaction, Structure and Magnetic Properties of a Binuclear Cobalt Complex with N-donor

One complex [Co1.5(C6H5CHCHCOO)3(Medpq)]·H2O(C6H5CHCHCOO = cinnamic acid, Medpq = 2-methyldipyrido[3,2-f:2,3-h]quinoxaline) 1 has been hydrothermally synth

期刊

结构表征配位体喹喔啉水热反应磁特性单晶X射线衍射反铁磁交换作用供体cobalt complexmagnetic susceptibility

Hydrogen Generation by Splitting H2O Molecule on the Pt6Cu Cluster

Seven reaction paths for hydrogen generation from water molecule with Pt_6Cu cluster are identified, based on the density functional theory with exchange-correl

期刊

水分子氢气反应路径簇密度泛函理论复杂结构能量稳定性H2Ohydrogen generation intrinsic reaction coor

The First-principles Study on the Optical Anisotropy of R3 Space Group Chalcogenides AX2MQ6

与本文相关的学术论文