Dependence of electronic and optical properties of multilayer SiC and GeC on stacking sequence and external electric field

The electronic and optical properties of different stacked multilayer SiC and GeC are investigated with and without external electric field (EEF). The band gaps of multilayer SiC and GeC are found smaller than that of monolayer SiC and GeC due to the interlayer coupling effect. When EEF is applied, the direct band gaps (ΔK–M) of multilayer SiC and direct band gaps (ΔK–K) of multilayer GeC all turn to indirect band gaps (ΔK–G) as the band at the G point drops dramatically toward zero. The imaginary part ε₂(ω)s of multilayer SiC and GeC show that new absorption peaks between 2–5 eV appear when the polarized direction is perpendicular to the layer plane, and new absorption peaks in infrared region appear as the EEF is higher than a certain point when the polarized direction is parallel to the layer plane. Our calculations reveal that different stacking sequences and EEF can provide a wide tunable band structures and optical properties for multilayer SiC and GeC.     

Stable structure and optical properties of fused silica with NBOHC-E' defect

First-principles method is used to simulate the stable structure and optical properties of a 96-atom fused silica.The preferable structure of NBOHC-E'(non-bridging oxygen hole center(NBOHC) and E' center) pair defect is predicted to be located at 2.4 A for the Si-O bond length.The quasi-particle GOWO calculations are performed and an accurate band gap is obtained in order to calculate the optical absorption properties.With the stretching of the Sil-O1 bond,an obvious redshift can be observed in the absorption spectrum.In the case of NBOHC-E' pair,the p-orbital DOS of Si1 atom will shift to the conduction band.Two obvious absorption peaks can be observed in the absorption spectrum.The calculation reproduced the peak positions of the well-known optical absorption bands.     

Linear and nonlinear optical properties of strained GaN/AlN quantum dots: Effects of impurities,radii of QDs,and the incident optical intensity

The linear and nonlinear optical properties of cylinder GaN/AlN quantum dots with strain effects and impurity are investigated by taking into account the effects of the deformation potential and piezoelectric potential on the conduction band edge. The results are presented as a function of photon energies and QD radii. The optical absorption spectrum and refractive index changes have a blueshift in the presence of the impurity. With increasing distance of the impurity’s position along the growth direction, the peak values of the refractive index changes decrease and shift to higher photon energy. When the sizes of the QDs increase, redshift effects are observed and the relative amplitudes diminish. It can be found that the nonlinear effect becomes obvious with increase of the incident optical intensity. Then there is a “hole-burning” in the absorption coefficient spectra and two new peaks will appear in the total refractive index change spectrum when the optical intensity becomes larger enough. Finally it can be concluded that the intensity of the incident light and the position of the impurity play an important role in the linear and nonlinear optical properties.     

Polarization sensitivity contributes to multiple band spectra of one mid-infrared absorber

The emerging perfect-absorber metamaterials （PAMs） provide an alternative material approach for the next generation of electromagnetic detection at any frequency band of interest. One type of dual cross-shaped PAMs is developed to obtain multiplex-band spectrum absorption at mid-infrared region. Three distinct absorption peaks are attributed to the polarization sensitivity excitation of the plasmonic resonance. The charge density distributions, which are excited by resonant electromagnetic waves passing through the PAMs medium, provide insights into the observed absorption behavior. We find that the retrieved optical properties of the PAMs including permittivity and permeability are still consistent with the sum of the Drude and Lorentz type models at wavelengths ranging from 2.0 to 10.0μm. Such multiplex-band absorption properties enable the proposed PAMs a powerful tool for the direct detection of multiple molecular vibrational structures, and for multiple spectra infrared detection.     

应力场对多层膜Permalloy/Cu/Co/NiO铁磁共振性质影响的理论研究

采用能量极小原理研究了Permalloy(Py)/Cu/Co/NiO多层膜结构中层间耦合强度和应力各向异性场对薄膜共振频率的影响,得到共振频率随外磁场强度变化关系式．结果发现外应力场强度和方向对系统共振频率的影响在本文中要强于层间耦合强度和交换各向异性场．外应力场方向对光学模共振频率的影响强于声学模,而外应力场强度对声学模共振频率的影响强于光学模．     

应力场对多层膜Permalloy/Cu/Co/NiO铁磁共振性质影响的理论研究

采用能量极小原理研究了Permalloy(Py)/Cu/Co/Ni O多层膜结构中层间耦合强度和应力各向异性场对薄膜共振频率的影响,得到共振频率随外磁场强度变化关系式.结果发现外应力场强度和方向对系统共振频率的影响在本文中要强于层间耦合强度和交换各向异性场,外应力场方向对光学模共振频率的影响强于声学模,而外应力场强度对声学模共振频率的影响强于光学模.     

In插入层对硅衬底外延InN晶体质量和光学特性的影响

在Si（111）衬底上分别预沉积0,0.1,0.5,1 nm厚度的In插入层后,采用等离子辅助分子束外延法制备了纤锌矿结构的InN材料,结合X射线衍射（XRD）、扫描电子显微镜（SEM）、吸收谱及光致发光谱研究了不同厚度的In插入层对外延InN晶体质量和光学特性的影响。XRD和SEM的测试结果表明,在Si衬底上预沉积0.5 nm厚的In插入层有利于改善外延InN材料的形貌,提高材料的晶体质量。吸收谱和光致发光谱测试表明,0.5 nm厚In插入层对应的InN样品吸收边蓝移程度最小,光致发射谱半峰宽最窄,并且有最高的带边辐射复合发光效率。可见,引入适当厚度的InN插入层可以改善Si衬底上外延InN材料的晶体质量和光学特性。     

碳纳米管/二硒化钼有机玻璃的非线性吸收、非线性散射和光限幅特性

MoSe₂的禁带宽度较窄（1.1–1.5 eV）,且具有可调谐的激子光电效应,这样使其在光致发光、光电晶体管、太阳能电池和光学非线性等方面具有潜在的应用价值.然而,纯的MoSe₂的光生电子空穴复合率较高,限制了其在某些光学领域中的应用.通过设计MoSe₂的复合材料,可以降低材料的光生电子空穴复合率,从而扩展其应用领域.首先,通过热溶剂法合成CNT/MoSe₂复合材料;然后,通过浇铸法将其分散在甲基丙烯酸甲酯（MMA）中制备成有机玻璃,其中MMA会聚合成聚甲基丙烯酸甲酯（PMMA）,并利用改进的Z-扫描技术首次对CNT/MoSe₂/PMMA有机玻璃的非线性吸收、非线性散射和光限幅特性进行了研究.研究表明,随着输入能量的变化,通过调节输入能量,CNT/MoSe₂/PMMA有机玻璃表现出饱和吸收（SA）和从SA到反饱和吸收的转变.结合材料特性及应用条件要求,可以得到CNT/MoSe₂/PMMA有机玻璃在光学设备,如光学限制器和锁模/调Q激光器等方向具有较好的应用前景.     

AlN插入层对a-AlGaN的外延生长的影响

采用有机金属化学气相沉积(MOCVD)在r面蓝宝石衬底上生长a-AlGaN外延膜,研究了AlN插入层对a-AlGaN外延膜的应力和光学性质的影响。根据高分辨X射线衍射(HRXRD)技术和扫描电子显微镜(SEM)我们可以得到,AlN插入层有效地提高了a-AlGaN外延膜的晶体质量并减小了外延膜材料结构的各向异性。由拉曼光谱得到AlN插入层的引入减小了a-AlGaN外延膜的面内压应力,其原因是AlN插入层可以当作衬底有效的调制与减小a-AlGaN外延膜与r面蓝宝石衬底的晶格失配,从而使a-AlGaN的面内应力得到适当释放。对室温下的光致发光进行测量得到AlN插入层的使用使近带边发射峰(NBE)发生了红移,这可能是由于残余应力的减小引起。     

Absorption spectra of unequal width bilayer graphene nanoribbons in a spatially modulated electric field

The optical absorption spectra of unequal width bilayer graphene nanoribbons can be effectively tuned by a spatially modulated electric field. The absorption spectra exhibit many prominent peaks’ structure owing to the one-dimensional subbands. The number, spectral intensity, and frequency of the absorption peaks depend sensitively on the magnitude, period and phase of the modulated electric potential. The relative displacement between the top and bottom nanoribbons also has strong influence on the spectra. For unequal width bilayer graphene nanoribbons without the interlayer hoppings, there exists an optical selection rule originating from the spatial symmetry of the electron wave functions. Most importantly, such a selection rule can be disrupted by the presence of the interlayer atomic interactions or a spatially modulated electric field. These theoretical predictions can be validated by absorption spectroscopy experiments.     

半导体三量子点中的多透明窗口及弱光孤子的调控

考虑半导体量子点间隧穿耦合效应,研究非对称半导体三量子点分子中的弱探测光的传播特性。线性情况下,由于点间隧穿耦合和外部控制光的协同调控,探测光的吸收特性将出现共振吸收、隧穿诱导透明单窗口、隧穿诱导透明双窗口及隧穿诱导透明三窗口的转变。此外,从反常色散到正常色散的开关效应可通过改变隧穿强度及光学控制场强度来实现。对于非线性情况,发现孤子的振幅随着点间隧穿耦合系数增大呈先增大再减小随即再次增大并减小的波动变化趋势且出现最大振幅及其对应的点间隧穿耦合强度随着外部控制光场的增大而减小。此外,发现孤子的群速度随着耦合强度的增加呈逐渐减小的趋势。     

具有可调电学和光学性质的双层和三层Janus Ga2SSe

将二维(2D)层状材料的单层堆叠成双层或者少数层,可以很好的调节其光电性质,为该领域发展提供了新的机遇.本文采用第一性原理方法系统地研究了堆叠层数和堆叠次序对双层和三层Janus Ga₂SSe的电学和光学性质的影响.我们发现这些结构的层间距差别很大,而结合能差异却很小.尽管所有的双层和三层Janus Ga₂SSe具有间接带隙,然而其带隙值和载流子有效质量与堆叠层数和堆叠次序密切相关.此外,在Janus Ga₂SSe中,通过增加层数,可以增强其在可见光和紫外区域的吸收系数.同时,通过控制层间堆叠模式,进一步调制其吸收系数,导致在可见光和近紫外区域产生多个吸收峰.我们的结果为双层和三层Janus III族单硫化合物的可调节电学和光学性质提供了有价值的见解,这表明其可能在纳米电子和光电子器件中有着广阔的应用前景.     

Cr掺杂ZnO纳米线的电子结构和磁性

采用自旋极化密度泛函理论系统研究了Cr掺杂ZnO纳米线的电学、磁学以及光学属性.计算结果显示,Cr原子沿[0001]方向替代ZnO纳米线中的Zn原子时体系一般呈现铁磁耦合,沿[1010]和[0110]方向替代Zn原子时体系呈现反铁磁耦合,且磁性耦合状态在费米能级附近出现了明显的自旋劈裂现象,发生了强烈的Cr 3d和O 2p杂化效应.自旋态密度计算结果显示,磁矩主要来源于Cr原子未成对3d态电子的贡献,磁矩的大小与Cr原子的电子排布有关.光学性质计算结果显示,Cr掺杂ZnO纳米线在远紫外和近紫外都具有明显的吸收峰,吸收峰发生了明显的红移.这些结果都表明Cr掺杂ZnO纳米线也许是一种很有前途的稀磁半导体材料. 关键词： ZnO 纳米线 第一性原理 磁性     

Exciton effects on the refractive index and optical absorption in wurtzite quantum wells via a fractional-dimensional space approach

The optical refractive index changes and absorption coefficients of quantum wells (QWs) are theoretically investigated with considering exciton effects within the framework of the fractional-dimensional space approach. The exciton wave functions and bound energies are obtained as a function of spatial dimensionality, and the dimension increases with the well width increasing. Then optical properties are obtained by using the compact-density matrix approach and an iterative method. Numerical results are presented for wurtzite ZnO/Mg_xZn_1−xO QWs. The calculated results show that the changes of refractive index and absorption coefficients are greatly enhanced due to the quantum confinement of exciton. And the smaller the QW width (dimension) is, the larger influence of exciton on the optical properties will be. Furthermore, the exciton effects make the resonant peaks move to a lower energy. In addition, the optical properties are related to the QW width, the incident optical intensity and carrier density.     

Optical characteristics of one-dimensional photonic crystals composed of high-aspect-ratio Si walls fabricated on V-grooved wafer

We demonstrate optical properties of one-dimensional photonic crystals (PC), which are fabricated using high-aspect-ratio etching on a V-grooved silicon wafer. The measured transmission spectrum has an obvious band gap; the suppression is over 30 dB. The quite small insertion loss of 1.9 dB is achieved by induced coupled plasma (ICP) cryogenic etching and direct coupling to the optical fiber aligned in the V-groove. We also successfully observed peaks originating from a localized cavity mode. Such a microcavity enables control of the light, which qualifies photonic crystal as a fundamental structure of optical functional devices. These results lead to achievement of integrated Si-based photonic circuits.     

硫化锡电子结构和光学性质的量子尺寸效应

基于密度泛函理论的第一性原理计算,系统研究了硫化锡(SnS)晶体、纳米单层及多层的结构稳定性、电子结构和光学性质.结果表明:由于相对弱的层间范德瓦尔斯力作用,SnS单层纳米片可以像石墨烯等二维材料一样从块体中剥离出来;受制于量子尺寸效应和层间相互作用的影响,SnS的结构稳定性随层数减少而逐渐减弱,其带隙随层数减少而逐渐增大;由于材料的本征激发和吸收取决于电子结构,因此改变SnS材料的层数可以到达调控其光学性质的目的;SnS块体和纳米结构的主要光学吸收峰起源于Sn-5s,5p和S-2p轨道之间的电子跃迁;并且从块体到单层纳米结构,SnS的光学吸收峰出现明显的蓝移.本文的研究将有助于SnS材料在太阳能电池领域的应用.     

二维Ag2S的电子和光电性能的第一性原理研究

二维Ag₂S是一种具有间接宽带隙的半导体材料,由其在平面内和平面外具有独特的力学性质,因此受到了人们的广泛关注.本文基于密度泛函理论进行了第一性原理计算,研究了二维Ag₂S的电子、光学性质的变化.二维Ag₂S具有较强的方向各异性,通过不同浓度的O取代S替换掺杂,发现随着O浓度的增加,带隙值出现先增大后减小的现象;由于O元素的引入,使二维Ag₂S结构对称性降低,引起能带及光吸收、光反射的分布离散化.y方向4.56～5.36 e V处光吸收及光反射峰随掺杂浓度增加逐渐减小,且出现明显的蓝移.     

Nonlinear optical properties in n-type quadruple δ-doped GaAs quantum wells

The effects of the interlayer distance on the nonlinear optical properties of n-type quadruple δ-doped GaAs quantum well were theoretically investigated. Particularly, the absorption coefficient and the relative refraction index change were determined. In the effective mass approach and within the framework of the Thomas-Fermi theory, the Schrödinger equation was resolved. Thereby, the subband energy levels and their respective wave functions were calculated. The variations in the nonlinear optical properties were determined by using the density matrix solutions. The achieved results demonstrate that the interlayer distance causes optical red-shift on nonlinear optical properties. Therefore, it can be deduced that the suitably chosen interlayer distance can be used to tune optical properties within the infrared spectrum region in optoelectronic devices such as far-infrared photo-detectors, high-speed electronic-optical modulators, and infrared lasers.     

Stress and strain effects on the electronic structure and optical properties of ScN monolayer

Based on the density functional theory, electronic and optical properties of a monolayer scandium nitride structure have been studied under different strain conditions. Our results indicate that both biaxial compressive and tensile strain effects lead to change the band gap of this structure with different rates. Also, optical absorption spectrum peaks experience an obvious red and blue shifts with the exerting of tensile and compressive strains, respectively. Our results express that ScN monolayer can be the promising candidate for the future nano-base electrical and optical devices.     

High efficiency,small size,and large bandwidth vertical interlayer waveguide coupler

Since the advent of three-dimensional photonic integrated circuits,the realization of efficient and compact optical interconnection between layers has become an important development direction.A vertical interlayer coupler between two silicon layers is presented in this paper.The coupling principle of the directional coupler is analyzed,and the traditional method of using a pair of vertically overlapping inverse taper structures is improved.For the coupling of two rectangular waveguide layers,a pair of nonlinear tapers with offset along the transmission direction is demonstrated.For the coupling of two ridge waveguide layers,a nonlinear taper in each layer is used to achieve high coupling efficiency.The simulation results show that the coupling efficiency of the two structures can reach more than 90%in a wavelength range from 1500 nm to 1650 nm.Moreover,the crosstalk is reduced to less than-50 d B by using multimode waveguides at intersections.The vertical interlayer coupler with a nonlinear taper is expected to realize the miniaturization and dense integration of photonic integrated chips.