Electron-phonon scattering in an asymmetric double barrier resonant tunneling structure

We calculate the electron-phonon scattering rate for an asymmetric double barrier resonant tunneling structure based on dielectric continuum theory, including all phonon modes, and show that interface phonons contribute much more to the scattering rate than do bulk-like LO phonons for incident energies which are approximately within an order of magnitude of the Fermi energy. The maximum scattering rate occurs for incident electron energies near the quantum well resonance. Subband nonparabolicity has a significant influence on electron-phonon scattering in these structures. We show that the relaxation time is comparable to the dwell time of electrons in the quantum well for a typical resonant tunneling structure. Received: 23 December 1997 / Revised: 24 March 1998 / Accepted: 9 March 1998     

Localized states emission in type‐I GaAsSb/AlGaAs multiple quantum wells grown by molecular beam epitaxy

As an important candidate for novel infrared semiconductor lasers, the optical properties of GaAsSb‐based multiple quantum wells (MQWs) are crucial. The temperature‐ and excitation power‐dependent photoluminescence (PL) spectra of the GaAs_0.92Sb_0.08/Al_0.2Ga_0.8As MQWs, which were grown by molecular beam epitaxy, were investigated and are detailed in this work. Two competitive peaks were observed from 40 K to 90 K. The peak located at the low‐energy shoulder was confirmed to be localized states emission (LE) and the high‐energy side peak was confirmed to be free‐carrier emission by its temperature‐dependent emission peak position. It is observed that the LE peak exhibited a blueshift with the increase of laser excitation power, which can be ascribed to the band filling effect of localized states. Our studies have great significance for application of GaAsSb‐based MQWs in infrared semiconductor lasers.

     

Coupling-induced excitation of a forbidden surface plasmon mode of a gold nanorod

Using the finite-difference time-domain (FDTD) method, we simulate the coupling between a gold nanorod and gold nanoparticles with different plasmonic resonant frequencies/volumes as well as that between the nanorod and a dielectric nanosphere. The influences of coupling with different nanoparticles on the excitation of a forbidden longitudinal surface plasmon mode of the nanorod under normal incidence are investigated. It is found that the cause of this excitation is the broken symmetry of the local electric field experienced by the nanorod resulting from the charge pileup on the other nanoparticle. This result is valuable for understanding the near-field optical characterization of plasmonic metal nanoparticles. Supported by the National Natural Science Foundation of China (Grant Nos. 10821062 and 10804004), the National Basic Research Program of China (Grant No. 2007CB307001), and the Specialized Research Fund for the Doctoral Program of Higher Education (Grant No. 200800011023) Contributed by GONG QiHuang     

Confined electron and shallow donor states in graded GaAs/Al Ga As spherical quantum dots

A theoretical study is performed on the confined electron and shallow donor states properties in graded GaAs/Al_xGa_1-xAs spherical quantum dots. The two lowest energy levels of a confined electron are obtained taking into account the dependence of the electron effective mass on the spatial profile of the Al molar fraction. The ground state of a single Si shallow donor, which may be located at an arbitrary position in the structure, is calculated through a variational approach. Depending on the dot interface width and localization, we find that the energy levels of the electron and donor states for the system under study can be blue or red shifted appreciably in comparison to those calculated within the sharp interface picture. We show that it is necessary to have accurate information concerning the interface of semiconductor dots whose samples are used in the experiments, in order to achieve a better understanding of their optical properties. Received 31 May 1999     

Deep-ultraviolet surface plasmon resonance of Al and Al_(core)/Al_2O_(3shell) nanosphere dimers for surface-enhanced spectroscopy

The localized surface plasmon resonance properties of Al and Alcore/Al2O3 shell nanosphere dimers with Al and Al core nanosphere radii of 20 nm and Al2O3 shell of 2 nm in the deep-ultraviolet region have been studied using the finite difference time domain method. The extinction spectra and the electric field distribution profiles of the two dimers for various gap distances between two individual nanospheres are compared with those of the corresponding monomers to reveal the extent of plasmon coupling. It is found that with the interparticle distance decreasing, a strong plasmon coupling between two Al or Alcore/Al2O3 shell nanospheres is observed accompanied by a significant red shift in the extinction spectra at the parallel polarization direction of the incident light related to the dimer axis, while for the case of the perpendicular polarization direction, a weak plasmon coupling arises characterized by a slight blue shift in the extinction spectra. The electric field distribution profiles show that benefiting from the dielectric Al2O3 shell, the gap distance of Alcore/Al2O3 shell nanosphere dimers can be tailored to < 1 nm scale and results in a very high electric field enhancement. The estimated surface-enhanced Raman scattering enhancement factors suggests that the Alcore/Al2O3 shell nanosphere dimers with the gap of < 1 nm gave rise to an enhancement as high as 8.1 × 107 for interparticle gap = 0.5 nm. Our studies reveal that the Alcore/Al2O3 shell nanosphere dimers may be promising substrates for surface-enhanced spectroscopy in the deep-ultraviolet region.     

空位对纤锌矿型AlN自发极化影响的最大局域化Wannier函数方法研究

采用基于密度泛函理论的第一性原理平面波超软赝势方法,计算了纤锌矿型AlN中引入不同电荷态的N空位和Al空位时结构中最大局域化Wannier函数,并根据Wannier函数的空间分布及空间分布的几何中心位置,对空位引起的晶体电子结构变化及[0001],[ˉ1010],[ˉ12ˉ10]晶向上的自发极化进行了研究.结果表明,利用最大局域化Wannier函数分析电子结构具有直观的特点,清晰地表明N—Al键具有较强的离子性.研究发现,N空位结构中悬挂键上电荷向空位处转移,而Al空位结构中悬挂键上电荷则远离空位,沿悬挂键方向移动到N原子一侧.同时发现,空位的引入破坏了[ˉ1010],[ˉ12ˉ10]晶向上的中心对称结构,产生了极化,且极化强度随着空位电荷态的增加而增大.在[0001]晶向上,随着N空位电荷态的增加,空位周围电子结构发生了剧烈变化,使得自发极化发生了逆转,极化强度随着电荷态的增加而增大;而在Al空位中,随着电荷态的增加,自发极化沿原方向显著增加,但没有发生极化反转.     

Dynamics of plasma channel in a parallel-plate plasma gun

Lumped parameter models for describing dynamics of the plasma channel in a parallel-plate plasma gun are compared with the experimental results obtained from two plasma guns with different rail geometries. Comparison between the experiments and the numerical calculations reveals that the lumped parameter models can be utilized to describe the dynamic motion of the plasma channel quite well. Parametric study shows that minimizing the line inductance and increasing the charging voltage on a capacitor as well as minimizing the gas injection time for reducing the mass of the plasma channel are the key factors to increase the flow velocity of the plasma jet ejected from the plasma gun.     

Chemical bonding in view of electron charge density and kinetic energy density descriptors

Stalke's dilemma, stating that different chemical interpretations are obtained when one and the same density is interpreted either by means of natural bond orbital (NBO) and subsequent natural resonance theory (NRT) application or by the quantum theory of atoms in molecules (QTAIM), is reinvestigated. It is shown that within the framework of QTAIM, the question as to whether for a given molecule two atoms are bonded or not is only meaningful in the context of a well‐defined reference geometry. The localized‐orbital‐locator (LOL) is applied to map out patterns in covalent bonding interaction, and produces results that are consistent for a variety of reference geometries. Furthermore, LOL interpretations are in accord with NBO/NRT, and assist in an interpretation in terms of covalent bonding. © 2008 Wiley Periodicals, Inc.J Comput Chem, 2009.     

Objective Reduction Solutions to Higher-Order Boussinesq System in （2＋1）-Dimensions

With the help of an objective reduction approach （ORA）, abundant exact solutions of （2＋1）-dimensional higher-order Boussinesq system （including some hyperboloid function solutions, trigonometric function solutions, and a rational function solution） are obtained. It is shown that some novel soliton structures, like single linearity soliton structure, breath soliton structure, single linearity y-periodic solitary wave structure, libration dromion structure, and kink-like multisoliton structure with actual physical meaning exist in the （2＋1）-dimensional higher-order Boussinesq system.     

Theoretical Study of Formamide Tautomers—A Discussion of Enol-Keto Isomerizations and Their Corresponding Energies

In order to gain insight into the formamide molecule, seven tautomers and twelve transition states are found after being modeled by the density function theory of Becke's three-parameter hybride (B3LYP) type and ab initio Möller–Plesset second-order perturbation (MP2)-type methods. The isomerization phenomena between enol-keto tautomers and transition states via internal rotation or the proton transfer process are surveyed. A localized analysis is also introduced to ascertain the bond character caused by the delocalization of electrons, which will force the formamide tautomers to become planar. The trans effect in the molecule increases molecular stability.