硅量子点的形状及其弯曲表面效应

硅量子点的弯曲表面引起系统的对称性破缺, 致使某些表面键合在能带的带隙中形成局域电子态.计算结果表明:硅量子点的表面曲率不同形成的表面键合结合能和电子态分布明显不同. 例如, Si–O–Si桥键在曲率较大的表面键合能够在带隙中形成局域能级, 而在硅量子点曲率较小的近平台表面上键合不会形成任何局域态, 但此时的键合结合能较低. 用弯曲表面效应(CS)可以解释较小硅量子点的光致荧光光谱的红移现象. CS效应揭示了纳米物理中又一奇妙的特性. 实验证实, CS效应在带隙中形成的局域能级可以激活硅量子点发光. 关键词： 硅量子点 弯曲表面效应 表面键合 局域能级     

多孔硅量子点中的电子局域态

经过激光辐照和高温退火加工能够生成多孔硅样品,在650—780 nm处检测到很强的光致荧光（PL）峰,并且有明显的钉扎和增强效应.实验表明,这种PL发光的强度与样品受辐照和退火的时间短密切相关.通过第一性原理模拟计算发现,样品表面用SiO 双键和Si—O—Si桥键钝化,能隙中会出现电子局域态.激光辐照和高温退火的时间长短决定了样品表面SiO双键和Si—O—Si桥键的密度,而该密度正是影响多孔硅量子点中电子局域态生成的关键. 关键词： 多孔硅量子点 硅氧钝化键 电子局域态     

硅—二氧化硅超晶格：探索硅基发光材料的一条新途径

理论上认为，由于Ｓｉ／ＳｉＯ２超晶格中硅层（阱层）的电子和空穴都受到极强的量子限制效应，硅层能带有可能从体硅的间接带隙转变为直接带隙，从而发光效率大大提高．实验上，在非晶Ｓｉ／ＳｉＯ２超晶格中观察到在可见光波段的室温光致发光和明显的量子限制效应现象．晶体Ｓｉ／ＳｉＯ２超晶格研究也取得了初步的结果．     

纳米硅上的弯曲表面效应及其特征发光

纳米硅结构使能带的带隙展宽,并形成准直接能带带隙结构.弯曲表面上的某些键合可以在带隙中产生局域电子态,计算表明:纳米硅弯曲表面上的Si-N,Si=O和Si-O-Si键合能够分别在带隙中2.02 eV,1.78 eV和2.03 eV附近形成局域态子带,对应了实验光致荧光谱(PL)中605 nm处的LN线、693 nm处的LO1线和604 nm处的LO2线特征发光.特别是,Si-Yb键合在纳米硅弯曲表面上可以将发光波长调控到光通信窗口,在1310 nm到1600 nm范围形成LYb线特征发光.     

镶嵌在氢化氮化硅中纳米非晶硅粒子光吸收的模拟

采用量子限制效应模型对镶嵌有纳米非晶硅粒子的氢化氮化硅薄膜的光吸收进行了理论模拟,探讨了由吸收谱分析给出该结构薄膜光学参数的方法,并通过对不同氮含量样品的讨论给出了量子限制效应和纳米硅粒子表面的结构无序对薄膜光吸收特性的影响规律。分析结果表明,随氮含量的增加,薄膜有效光学带隙增大,该结果与薄膜中纳米硅粒子平均尺寸的减小引起的量子限制效应的增强相关,而小粒度纳米硅粒子比例增加所引入的较高微观结构无序度和较多缺陷将会导致薄膜低能吸收区吸收系数增加。     

Si/SiGe量子级联激光器研究进展

Si／SiGe量子级联激光器是一种新型的带内跃迁的红外光源，突破了Si基材料间接带隙特性对光跃迁的限制。Si/SiGe量子级联激光器的开发将为实现太赫兹有源器件的硅基集成产生深远影响。文章介绍了Si/SiGe量子级联激光器的工作原理，以及这类激光器在能带设计、材料生长和波导制作方面的最新进展。     

氧化硅层厚度对Si/SiO2界面电子态结构与光学性质的影响

在氧化硅上生长纳米硅晶,保持氧化硅的直接带隙结构,降低其能带带隙,以用于发光和光伏。采用基于密度泛函理论的第一性原理研究了块体α-方石英、薄膜α-方石英、Si/SiO₂界面的电子态结构和Si/SiO₂界面的光学性质。结果显示,其均为直接带隙半导体,当薄膜α-方石英厚度和Si/SiO₂界面氧化硅层厚度逐渐减小时,能带带隙均逐渐变大,表现出明显的量子限制效应。光学性质计算结果表明：Si/SiO₂界面虚部介电峰和吸收峰的峰值随氧化硅层厚度降低而显著升高,且峰位向高能量方向蓝移。使用脉冲激光沉积制备了氧化硅上硅晶薄膜,测量了Si/SiO₂界面样品的PL光谱,在670 nm处存在一个强的发光峰,在波长超过830 nm后,Si/SiO₂界面样品的发光强度不断升高。因此,可以通过控制Si/SiO₂界面氧化硅层厚度有效地调控Si/SiO₂界面的电子态结构和光学性质,引进边缘电子态,调控其带隙进入1～2 eV区间,获取硅基发光材料...     

氧掺入对纳米硅薄膜微结构及能带特性的影响

采用等离子体增强化学气相沉积法(PECVD)制备了富硅氧化硅薄膜,利用XRD衍射仪,傅里叶变换红外透射光谱仪以及紫外-可见光分光光度计分析了氧掺入对薄膜微观结构以及能带特性的影响。结果表明,随着氧掺入比(CO₂/SiH₄)的增加,薄膜晶粒尺寸减小,晶化度降低,纳米硅(nc-Si)表面的张应力先增加后减小。红外吸收谱分析表明,氧掺入比增加导致薄膜内氧含量增高,富氧Si—O键合密度增加,富硅Si—O键合密度降低。同时,薄膜结构因子减小,有序度增大,薄膜微观结构得到改善。当氧掺入比大于0.08时,薄膜结构因子增大,有序度降低。此外,氧掺入增加导致薄膜带隙不断增加,带尾宽度呈现先减小后增大的趋势。因此,通过氧掺入可以调节纳米硅薄膜微观结构及能带特性,氧掺入比为0.08时,薄膜具有高晶化度和较宽的带隙,微观结构得到有效改善,可用作薄膜太阳能电池的本征层。     

光全息制作的变形面心立方结构光子晶体的带隙

四束激光从空气直接入射到平面结构的感光树脂所制备的面心立方结构实际上是一种不但晶格沿[111]方向拉伸,而且其格点也在[111]方向被拉长的变形面心立方结构。在对这种变形面心立方结构的光子晶体的晶格形状及能带分布的研究中,通过利用麻省理工学院的光子晶体能带计算程序计算了各种参量对此变形面心立方结构的蛋白石和反蛋白石的能带分布的影响,发现在一定条件下该结构的蛋白石会出现完全光子带隙。用激光全息聚合法在正胶的环氧树脂中可制作反蛋白石模板,若用此模板制作硅蛋白石,当晶格沿[111]方向拉伸2.1倍和硅的占空比为13.7%时出现最大的带隙宽度。此最大带隙宽度的结构的制作光路是三角锥形光路,对称地环绕中央光束的三束外围激光束之间夹角为54.0°,三束外围激光束与中央激光束夹角为31.6°。     

磁控共溅射法沉积的硅量子点SiN_x薄膜的光谱特性

采用双极脉冲和射频磁控共溅射沉积法在不同温度的Si(100)衬底和石英衬底上制备了富硅SiNx薄膜。在氮气氛中,于1 050℃下采用快速光热退火热处理,获得了包含硅量子点的SiNx薄膜。采用Fourier变换红外光谱、Raman光谱、掠入射X射线衍射和光致发光光谱对退火后的薄膜样品进行了表征。结果显示:Fourier变换红外光谱中出现了富硅Si—N键,表明薄膜为富硅SiNx薄膜;当衬底温度不低于200℃时,薄膜样品的拉曼光谱中出现了硅纳米晶的Si—Si振动横光学模,掠入射X射线衍射中出现了明显的Si(111)和Si(311)的衍射峰,证实了硅量子点的形成;发现存在一最佳衬底温度(300℃),该条件下获得的硅量子点的数量和晶化率最高;衬底温度为300和400℃的样品的光致发光光谱中均有3个可见荧光峰,结合拉曼光谱结果,用纳米晶硅的量子限域效应和辐射复合缺陷态对荧光峰进行了合理解释;由光致发光光谱计算出的衬底温度为300和400℃的样品的硅量子点平均尺寸分别为3.5和3.4nm。这些结果有助于优化含硅量子点的SiNx薄膜的制备参数,在硅基光电子器件的应用方面有重要意义。     

Symmetric Surface Momentum and Centripetal Force for a Particle on a Curved Surface

The Hermitian surface momentum operator for a particle confined to a 2D curved surface spanned by orthogonal coordinates and embedded in 3D space is expressed as a symmetric expression in derivatives with respect to the surface coordinates and so is manifestly along the surface. This is an alternative form to the one reported in the literature and usually named geometric momentum, which has a term proportional to the mean curvature along the direction normal to the surface, and so "apparently" not along the surface. The symmetric form of the momentum is the sum of two symmetric Hermitian operators along the two orthogonal directions defined by the surface coordinates. The centripetal force operator for a particle on the surface of a cylinder and a sphere is calculated by taking the time derivative of the momentum and is seen to be a symmetrization of the well-known classical expressions.     

Surface photovoltage within a monolayer of CdSe quantum dots

Layers of pyridine terminated CdSe quantum dots (QDs) with thicknesses from a monolayer (ML) to 80 nm were deposited on ITO substrates by dip coating. Transient surface photovoltage measurements showed dominant charge separation within the first ML of QDs at short times and an increasing influence of layer thickness at long times. Auger recombination limited the maximum of separated charge carriers to about 1 × 10¹² cm^‐2.

     

Quantum Trajectory Approach to Molecular Dynamics Simulation with Surface Hopping

In this work we propose a quantum trajectory approach to the powerful molecular dynamics simulation with surface hopping,from an insight that an efective"observation"is actually implied in the simulation through tracking the forces experienced,just like checking the meter’s result in quantum measurement process.This treatment can build the nonadiabatic surface hopping on a physical foundation,instead of the usual fictitious and conceptually inconsistent hopping algorithms.The efects and advantages of the proposed scheme are preliminarily illustrated by a two-surface model system.     

Quantum Trajectory Approach to Molecular Dynamics Simulation with Surface Hopping

In this work we propose a quantum trajectory approach to the powerful molecular dynamics simulation with surface hopping, from an insight that an effective “observation” is actually implied in the simulation through tracking the forces experienced, just like checking the meter's result in quantum measurement process. This treatment can build the nonadiabatic surface hopping on a physical foundation, instead of the usual fictitious and conceptually inconsistent hopping algorithms. The effects and advantages of the proposed scheme are preliminarily illustrated by a two-surface model system.     

Recent Advances of Light Propagation in Surface Plasmon Enhanced Quantum Dot Devices

Surface plasmons are of particular interest recently as their performance is approaching the enhancement of light emission efficiencies, after synthesized close to the vicinity of solid state materials, i.e., semiconductor structure. As other scientific works have been proposed to improve the light-emitting efficiency, such as the use of resonant cavities, photon recycling, and thin-light emitting layers with periodic surface texturing, surface plasmon possesses a promising way to the light enhancement, due to the energy coupling effect between the emitted photons from the semiconductor and the metallic nanoparticles fabricated by nanotechnology. The usual pathway of plasmon enhanced light emitting devices is the use of Ag/Au nanoparticles coating the surface of semiconductor quantum dot (QD) or quantum well (QW) structures. However, apart from efforts to extract as much light as possible from single-driven surface plasmon-QD/QW, it is possible to enhance the light emission rate with double optical-excitations. This approach is based on the quantum interference between the external lasers and the localized quantum light, and promised to stimulate the development of plasmon-enhanced optical sensors. In this review, we describe the quantum properties of light propagation in hybrid nanoparticle and semiconductor materials, i.e., quantum dot or nanomechanical resonator coupled to Ag/Au nanoparticles, driven by two optical fields. Distinct with single excitation, plasmon-assisted complex driven by two optical fields, exhibit specific quantum interference characteristics that can be used as sensitive all-optical devices, such as the slow light switch, nonlinear optical Kerr modulator, and ultra-sensitive mass sensing. We summarize the recent advances of light propagation in surface plasmon-enhanced quantum dot devices, driven by two optical fields, which would stimulate the development of novel optical materials, deeper theoretical insights, innovative new devices, and plasmonic applications with potential for significant technological and societal impact.     

表面等离子共振现象的新应用——微弱磁场的测量

提出了一种新的表面等离子体共振传感器, 它包含三层结构: 棱镜、金属薄膜及二能级介质. 通过理论分析发现, 与通常表面等离子体共振系统不同, 这一物理系统中同时存在两种共振效应 (表面等离子体共振和能级间量子跃迁的共振效应), 它们共同作用的结果导致一系列新的物理现象, 其中一个令人感兴趣的现象是入射光的反射率对外场导致的微小能级移动十分敏感 (这一现象是通常的表面等离子体共振系统所不具有的). 由于能级移动依赖于外场, 所以最终入射光的反射率对外场具有灵敏的响应. 本文以外磁场导致能级移动的情况进行了理论计算, 结果表明, 这种表面等离子体共振系统的入射光的反射率对外加磁场极其敏感. 这一特性可以用来测量物质表面附近的微弱磁场, 有可能发展成为一种新型检测技术.     

光学方法对润湿效应形成弯曲液面的理论及实验研究

利用光学方法对润湿效应下的弯曲液面进行了研究.当准直、扩束的激光垂直入射到弯曲液面上时,其反射图样中心为一圆形暗场,周围为明场的光强分布,暗场大小与入射光束所覆盖的液面面积有关.当入射光束直径较小时,反射图样中暗场尺寸较大.随着入射光束直径增大,暗场区域变小.根据液面形成机理,从几何光学角度对这一现象进行了研究和分析,得到了弯曲液面高度随距离变化的解析关系式,并与Yong－Laplace方程进行了比较,实验和理论符合较好.     

圆柱体出水运动的自由面效应及水冢现象分析

以圆柱体为例,研究自由面附近刚性物体的受力状态,分析垂直运动圆柱体出水时的自由面效应以及水冢现象.建立基于势流理论考虑自由面效应的数学模型,并用边界元方法求解该模型.求解过程中考虑非线性自由面运动学以及动力学边界条件.通过求解控制方程以及边界条件,模拟恒速刚性圆柱体出水时的水冢现象及其穿越水冢过程.通过数值解和实验值的比较验证方法的可靠性.分析结构出水时的压力变化、自由液面变形、圆柱体所受的垂向合外力以及流场速度矢量的变化,并展开讨论.结果表明:考虑自由面效应的非线性方法能够更准确地预报自由面附近刚性运动物体的受力特性.     

Surface optical phonon—assisted electron Raman scattering in a semiconductor quantum disc

We have carried out a theoretical calculation of the differential cross section for the electron Raman scattering process associated with the surface optical phonon modes in a semiconductor quantum disc.electron states are considered to be confined within a quantum disc with infinite potential barriers.The optical phonon modes we have adopted are the slab phonon modes by taking into consideration the Frohlich interaction between an electron and a phonon.The selection rules for the Raman process are given.Numerical results and a discussion are also presented for various radii and thicknesses of the disc,and different incident radiation energies.     

Controlled-NOT Gate Based on the Rydberg States of Surface Electrons

Due to the long coherence time and efficient manipulation, the surface electron (SE) provides a perfect 2D platform for quantum computation and quantum simulation. In this work, a theoretical scheme to realize the controlled-NOT gate is proposed, where the two-qubit system is encoded on the four-level Rydberg structure of SE. The state transfer is achieved by a three-level structure with an intermediate level. By simultaneously driving the SE with two external electromagnetic fields, the dark state in the electromagnetically induced transparency effect is exploited to suppress the population of the most dissipative state and increase the robustness against dissipation. The fidelity of the scheme is 0.9989 with experimentally achievable parameters.