Simulated pressure-induced blue-shift of phase-matching region and nonlinear optical mechanism for K

来源 :第八届国际分子模拟与信息技术应用学术会议 | 被引量 : 0次 | 上传用户:ok524500
下载到本地 , 更方便阅读
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
  Birefringence plays a great role in phase matching of the nonlinear optical(NLO)crystals.Small birefringence restricts various crystals from achieving deep-ultraviolet laser output although they exhibit short UV cutoff edges and high second-harmonic generation(SHG)intensities.An access to achieve deeper coherent light output through external pressure on NLO crystal,K3B6O10Cl is proposed and demonstrated through computer experiment based on the first principles theory.The “hot spot” in structure that determine the SHG effects and birefringence were highlighted.The shortest achievable phase-matching wavelengths are predicted based on calculated refractive indices.It is found that the quasi-planar(B6O10)2 group is the dominant contributing unit to optical anisotropy.The pressure-induced increase of polarizability anisotropy of(B6O10)2 group can notably enlarge birefringence which extends the shortest achievable wavelength of K3B6O10Cl frequency conversion.The results show that pressure engineering may be a promising scheme to overcome the drawback of small birefringence of some NLO crystals.VC 2015 AIP Publishing LLC.
其他文献
  A series of alkali metal magnesium tungstates,A4Mg(WO4)3(A = Na,K),R2Mg2(WO4)3(R = Rb,Cs),were synthesized from a high temperature solution,and their struct
会议
本文基于密度泛函理论及第一性原理,采用Materials Studio软件比较了LED常用界面材料导热胶中的填料SiC和Al-SiC的声子谱和能带结构.计算结果显示,SiC晶体的平均频率集中在80
会议
用46T模型和QM方法详细研究了HZSM-5分子筛上乙酸甲酯、丙酸甲酯和丁酸甲酯的吸附性能.分子筛的几何结构和电子结构数据表明,对于脂肪酸甲酯体系而言,吸附复合物羰中质子有从
  The magnesium borate fluoride Mg5(BO3)3F was grown by spontaneous crystallization with molten flux based on the MgF2-LiFNa2CO3-H3BO3 solvent.Structure solut
会议
基于活性反应立场的动力学(通过GULP,LAMMPS实现)以及量子化学(通过ORCA实现)方法,模拟了加氢热解、溶剂热萃取、气化等热转化反应中低阶煤的解离过程,探索自由基的反应历程
采用Materials Studio5.0软件包中的分子动力学方法研究了低张力泡沫剂脂肪醇聚氧乙烯醚羧酸盐(AEC)在气液界面泡沫液膜中的排布情况及动态行为,考察了泡沫剂分子结构对泡沫
通过分子动力学方法模拟研究了硅晶体生长过程中孪晶的形成,采用Tersoff势计算硅原子间相互作用.主要考察了硅晶体沿(110)、(100)、(111)与(112)面生长时孪晶的形成规律.结果
  Density functional theory(DFT)calculations and molecular dynamic(MD)simulations were performed to investigate the capability of graphene membranes with H-pa
会议
  Sluggish diffusion is very important in high entropy alloys,especially in elevated temperature application.However,the diffusion behavior is difficult in hi
会议