Hydrogenic Impurity States in Lateral-Surface-Modulation Quantum Wires

We calculate hydrogenic impurity binding energy in quasi-one-dimensional GaAs/AIAs quantum wires with periodical lateral surface structure by making use of a variational approach. By a coordinate transformation, the structured interfaces of the wires are transformed into planar ones so that the boundary conditions of the electronic wave functions can be satisfied exactly on the interfaces. The dependence of the binding energies on the positions of the impurities and on the lateral surface structures is studied.     

The Landauer Resistivity on Quantum Wires

We study the Landauer resistivity of the Kronig–Penney model which has various behavior depending on the potential and the Fermi energy. In the case of the Sturmian quasiperiodic potential, we discuss examples in which lim inf of it is zero.     

Quantum Mechanical Approach for Determining the Activation Energy of Surface Diffusion

Physics of the Solid State - A quantum mechanical approach was proposed to determine the activation energy of surface diffusion for copper, nickel, zinc and iron atoms adsorbed on a copper...     

Stability of Charged Exciton States in Quantum Wires

We show that the order of energies of negative (X⁻) and positive (X⁺) trions in quantum wires is determined by the relative electron and hole lateral confinements. For equal electron and hole confinement, X⁺ has a larger binding energy, but a small imbalance towards a stronger hole localization changes the order of the X⁻ and X⁺ recombination lines in the photoluminescence spectrum.     

抛物量子线中极化子的激发态性质

研究抛物型量子线中极化子激发态的性质。采用线性组合算符法和Pekar变分法,导出了抛物量子线中强耦合和弱耦合两种情况下极化子的基态能量、第一内部激发能量、激发能和振动频率随量子线的约束强度的变化关系。数值计算结果表明:抛物型量子线中极化子的基态能量、第一内部激发能量、激发能和振动频率都随量子线约束强度的增强而增大,体现了量子线受限强度越大,相应的极化子的能量也越大。     

Interface-Optical-Phonon Modes in Quasi-one-dimensional Wurtzite Rectangular Quantum Wires

By employing the dielectric continuum model and Loudon's uniaxial crystal model, the interface optical (IO) phonon modes in a freestanding quasi-one-dimensional (Q1D) wurtzite rectangular quantum wire are derived and analyzed. Numerical calculation on a freestanding wurtzite GaN quantum wire is performed. The results reveal that the dispersion frequencies of IO modes sensitively depend on the geometric structures of the Q1D wurtzite rectangular quantum wires, the free wave-number k_z in z-direction and the dielectric constant of the nonpolar matrix. The degenerating behavior of the IO modes in Q1D wurtzite rectangular quantum wire has been clearly observed in the case of small wave-number k_z and large ratio of length to width of the rectangular crossing profile. The limited frequency behaviors of IO modes have been analyzed deeply, and detailed comparisons with those in wurtzite planar quantum wells and cylindrical quantum wires are also done. The present theories can be looked on as a generalization of that in isotropic rectangular quantum wires, and it can naturally reduce to the case of Q1D isotropic quantum wires once the anisotropy of the wurtzite material is ignored.     

Interface-Optical-Phonon Modes in Quasi-one-dimensional Wurtzite Rectangular Quantum Wires

By employing the dielectric continuum model and Loudon‘s uniaxial crystal model, the interface optical(IO) phonon modes in a freestanding quasi-one-dimensional (Q1D) wurtzite rectangular quantum wire are derived and analyzed. Numerical calculation on a freestanding wurtzite GaN quantum wire is performed. The results reveal that the dispersion frequencies of IO modes sensitively depend on the geometric structures of the Q1D wurtzite rectangular quantum wires, the free wave-number kz in z-direction and the dielectric constant of the nonpolar matrix. The degenerating behavior of the IO modes in Q1D wurtzite rectangular quantum wire has been clearly observed in the case of small wave-number kz and large ratio of length to width of the rectangular crossing profile. The limited frequency behaviors of IO modes have been analyzed deeply, and detailed comparisons with those in wurtzite planar quantum wells and cylindrical quantum wires are also done. The present theories can be looked on as a generalization of that in isotropic rectangular quantum wires, and it can naturally reduce to the case of Q1D isotropic quantum wires once the anisotropy of the wurtzite material is ignored.     

抛物量子线中束缚磁极化子的性质

研究抛物量子线中束缚磁极化子的性质,采用线性组合算符和幺正变换方法导出了强、弱耦合两种情况下的基态能量、振动频率和光学声子平均数.结果表明,无论是强耦合还是弱耦合情况,抛物量子线中束缚磁极化子的振动频率λ、基态能量E₀和光学声子平均数N都随约束强度ω₀的增大而迅速增大.     

Cyclotron Resonance of Magnetopolaron in Cylindrical Quantum Wires with Arbitrary Magnetic Fields

By solving the effective mass equation with the variational method, we studied the cyclotronresonance of magnetopolaron in cylindrical quan t um wires with arbitrary magnetic fields.The interaction of the electron with surface-optical (SO) phonons is used. Having calculatedthe ground state energy and the excited state energy of the magnetopolaron, we obtain thecyclotron resonance frequency of the magnetopolaron. The effect of the electron-SO phononinteraction decreases the cyclotron resonance frequency. Furthermore, with the increasingstrength of magnetic fields, the cyclotron resonance frequency of the magnetopolaron form = 1 (m = -1) increases (decreases) monotonously. When the confinement energy is muchless than the Landau quantization energy, our results tend to the bulk case correctly. Forthe same magnetic field strength, our results show that, the larger the confinement length ofthe quantum wire is, the smaller the absolute value of the electron-SO phonon interactionenergy and the cyclotron resonance frequency are.     

柱形量子线中极化子的电子与LO声子之间相互作用能

采用变分法，研究了柱形量子线中在考虑电子与LO声子相互作用的情况下，极化子在基态时系统的能量以及电子-LO声子之间的相互作用能。数值计算结果表明：随着柱形量子线截面半径的减小，基态能量和电子-LO声子相互作用能的绝对值都增大。     

大气中硫酸生成反应势能面的量子化学研究

A new potential energy surface (PES) for the atmospheric formation of sulfuric acid from OH+SO₂ is investigated using density functional theory and high-level ab initio molecular orbital theory. A pathway focused on the new PES assumes the reaction to take place between the radical complex SO₃·HO₂ and H₂O. The unusual stability of SO₃·HO₂ is the principal basis of the new pathway, which has the same final outcome as the current reaction mechanism in the literature but it avoids the production and complete release of SO₃. The entire reaction pathway is composed of three consecutive elementary steps:(1) HOSO₂+O₂→SO₃·HO₂, (2) SO₃·HO₂+H₂O→SO₃·H₂O·HO₂, (3) SO₃·H₂O·HO₂→H₂SO₄+HO₂. All three steps have small energy barriers, under 10 kcal/mol, and are exothermic, and the new pathway is therefore favorable both kinetically and thermodynamically. As a key step of the reactions, step (3), HO₂ serves as a bridge molecule for low-barrier hydrogen transfer in the hydrolysis of SO₃. Two significant atmospheric implications are expected from the present study. First, SO₃ is not released from the oxidation of SO₂ by OH radical in the atmosphere. Second, the conversion of SO₂ into sulfuric acid is weakly dependent on the humidity of air.     

Small Quantum Structures with Small State Spaces

We summarize and extend results about “small” quantum structures with small dimensions of state spaces. These constructions have contributed to the theory of orthomodular lattices. More general quantum structures (orthomodular posets, orthoalgebras, and effect algebras) admit sometimes simplifications, but there are problems where no progress has been achieved.     

Identifying Quantum Structures in the Ellsberg Paradox

Empirical evidence has confirmed that quantum effects occur frequently also outside the microscopic domain, while quantum structures satisfactorily model various situations in several areas of science, including biological, cognitive and social processes. In this paper, we elaborate a quantum mechanical model which faithfully describes the Ellsberg paradox in economics, showing that the mathematical formalism of quantum mechanics is capable to represent the ambiguity present in this kind of situations, because of the presence of contextuality. Then, we analyze the data collected in a concrete experiment we performed on the Ellsberg paradox and work out a complete representation of them in complex Hilbert space. We prove that the presence of quantum structure is genuine, that is, interference and superposition in a complex Hilbert space are really necessary to describe the conceptual situation presented by Ellsberg. Moreover, our approach sheds light on ‘ambiguity laden’ decision processes in economics and decision theory, and allows to deal with different Ellsberg-type generalizations, e.g., the Machina paradox.     

电子-声子相互作用对柱形量子线中光学克尔效应的影响

本文利用密度矩阵方法研究了柱形量子线中的光学克尔效应, 重点讨论了电子-声子相互作用对其的影响,并以GaAs量子线为例进行了数值计算。结果显示,随着量子线半径R0的减小,光学克尔效应会逐渐增强;考虑了电子-声子相互作用时的光学克尔效应比未考虑电子-声子相互作用时的大20%多;量子线半径R0越小,峰越尖锐,峰值越强;当量子线半径R0大〖WTBZ〗于40 nm时,峰会逐渐消失.     

Quantum Structures in Einstein General Relativity

We introduce the notion of a quantum structure on an Einstein general relativistic classical spacetime M. It consists of a line bundle over M equipped with a connection fulfilling certain conditions. We give a necessary and sufficient condition for the existence of quantum structures and classify them. The existence and classification results are analogous to those of geometric quantisation (Kostant and Souriau), but they involve the topology of spacetime, rather than the topology of the configuration space. We provide physically relevant examples, such as the Dirac monopole, the Aharonov–Bohm effect and the Kerr–Newman spacetime. Our formulation is carried out by analogy with the geometric approach to quantum mechanics on a spacetime with absolute time, given by Jadczyk and Modugno.     

The Influence of Photoinduced Processes on a Quantum Dot Surface on the Electron Transfer Efficiency in TiO2 Nanoparticle/Quantum Dot Structures

Optics and Spectroscopy - The influence of photoinduced processes occurring on the surfaces of CdSe/ZnS quantum dots is considered in relation to the functional characteristics of hybrid TiO2...