Electronic structure and optical gain of truncated InAs1-xNx/GaAs quantum dots

The shape of truncated square-based pyramid quantum dots (QDs) is similar to that of real QDs in experiments. The electronic band structures and optical gain of InAs1-xNx/GaAs QDs are calculated by using the 10-band k.p model, and the strain is calculated by the valence force field (VFF) method. When the top part of the QD is truncated, greater truncation corresponds to a flatter shape of the QD. The truncation changes the strain distribution and the confinement in the z direction. A flatter QD has a greater C1-HH1 transition energy, greater transition matrix element, less detrimental effect of higher excited transition, and higher saturation gain and differential gain. The trade-off between these properties must be considered. From our results, a truncated QD with half of its top part removed has better overall performance. This can provide guidance to growing QDs in experiments in which the proper growing conditions can be controlled to achieve required properties. (C) 2009 Elsevier Ltd. All rights reserved.

Investigation of Electronic Energy Levels in InAs Quantum Dot with Shape of Lens by Using B-Spline Technique

The dependence of the electronic energy levels on the size of quantum dots (QDs) with the shape of spherical lens is studied by using the B-spline technique for the first time. Within the framework of the effective-mass theory, the values of electronic energy levels are obtained as a function of the height, radius and volume of QDs, respectively. When the height or radius of QDs increases, all the electronic energy levels lower, and the separations between the energy levels decrease. For lens-shape QDs, height is the key factor in dominating the energy levels comparing with the effect of radius, especially in dominating the ground-state level. These computational results are compared with that of other theoretical calculation ways. The B-spline technique is proved to be an effective way in calculating the electronic structure in QDs with the shape of spherical lens.

The electronic structure of strained ZnO/MgxZn1-xO superlattices and the influence of polarization

Based on the effective-mass model, the lower energies of the electron and the hole of ZnO/MgxZn1-xO superlattices are calculated. Because of the mismatch of the lattice constant between the ZnO well and the MgxZn1-xO barrier, piezoelectric and spontaneous polarization exist in ZnO/MgxZn1-xO superlattices and a macroscopical internal electric held is found when well width L-w >4 nm and Mg concentration x > 0.2. The parameters of ZnO/MgxZn1-xO superlattices such as lattice constant, band offset, etc. are also proposed. Through calculations, we found the internal electric field can change the lowest energies of the electron and hole to 105.4 and 85.1 meV when well width L-w up to 70 angstrom, which will influence the electronic and optical properties of ZnO/MgxZn1-xO superlattices greatly, while the Rashba effect from the internal electric field is so small that it can be neglected. The ground state exciton energies with different Mg concentration x are also calculated by variational method, our results are very close to the experimental results when Mg concentration x <= 0.3. (C) 2008 Elsevier B.V. All rights reserved.

A full spd tight-binding treatment for electronic bands of graphitic tubes

A tight-binding (TB) treatment with the inclusion of d orbitals is applied to the electronic structures of graphitic tubes. The results show that the high angular moment bases in TB scheme are necessary to account the severe curvature effect in ultra-thin single wall carbon nanotubes, especially for properly reproducing the band edge overlap behavior in (5, 0) tube, predicted by the existing ab initio calculations. In the large diameter limit, the participation of two synnmetry-allowed d bases provides a natural replication to the recent measured electronic dispersions of valence band of graphene when the strong anisotropy due to the two-dimensional planar hexagonal sheet structure is dealt with properly. In addition, the detailed relation between the two sets of quantum numbers of screw symmetry and that of zone folding is formulated in appendix. (C) 2008 Elsevier Ltd. All rights reserved.

Electronic structure of self-assembled InAs quantum disks in an axial magnetic field and two-electron quantum-disk qubit

We have studied the single-electron and two-electron vertically assembled quantum disks in an axial magnetic field using the effective mass approximation. The electron interaction is treated accurately by the direct diagonalization of the Hamiltonian matrix. We calculate the six energy levels of the single-electron quantum disks and the two lowest energy levels of the two-electron quantum disks in an axial magnetic field. The change of the magnetic field strongly modifies the electronic structures as an effective potential, leading to the splitting of the levels and the crossings between the levels. The effect of the vertical alignment on the electronic structures is discussed. It is demonstrated that the switching of the ground-state spin exists between S=0 and S=1. The energy difference DeltaE between the lowest S=0 and S=1 states is shown as a function of the axial magnetic field. It is also found that the variation of the energy difference between the lowest S=0 and S=1 states in the strong-B S=0 state is fairly linear. Our results provide a possible realization for a qubit to be fabricated by current growth techniques. (C) 2004 American Institute of Physics.

Proof of solid state cathodoluminescence by using brightness waveform

Three different inorganic-organic hetero-junctions (A : ITO/SiO2/Alq(3)/Al, B: ITO/Alq3/SiO2/Al and C: ITO/SiO2/Alq(3)/ SiO2/Al) were fabricated. The emission can be observed only under positive bias in devices A and B, but under both biases in device C according to their brightness waveforms. With increasing voltage, the increase in blue emission in devices B and C is faster than that in green emission. This is because that the recombination of hot electrons and holes, i.e., electron-hole pairs, produced blue emission in devices B and C, and the recombination of electrons injected from Al with the accumulated holes, which are excited by hot electrons, produced green emission in device A. Hence, the emissions of the devices are attributed to not only the recombination of electrons and accumulated holes, but also the cathodoluminescence-like (CL-like) emission.

Effective-mass theory for hierarchical self-assembly of GaAs/AlxGa1-xAs quantum dots

The electronic structures in the hierarchical self-assembly of GaAs/AlxGa1-xAs quantum dots are investigated theoretically in the framework of effective-mass envelope function theory. The electron and hole energy levels and optical transition energies are calculated. In our calculation, the effect of finite offset, valence-band mixing, the effects due to the different effective masses of electrons and holes in different regions, and the real quantum dot structures are all taken into account. The results show that (1) electronic energy levels decrease monotonically, and the energy difference between the energy levels increases as the GaAs quantum dot (QD) height increases; (2) strong state mixing is found between the different energy levels as the GaAs QD width changes; (3) the hole energy levels decrease more quickly than those of the electrons as the GaAs QD size increases; (4) in excited states, the hole energy levels are closer to each other than the electron ones; (5) the first heavy- and light-hole transition energies are very close. Our theoretical results agree well with the available experimental data. Our calculated results are useful for the application of the hierarchical self-assembly of GaAs/AlxGa1-xAs quantum dots to photoelectric devices.

Role of interactions in electronic structure of a two-electron quantum dot molecule

We have studied a two-electron quantum dot molecule in a magnetic field. The electron interaction is treated accurately by the direct diagonalization of the Hamiltonian matrix. We calculate two lowest energy levels of the two-electron quantum dot molecule in a magnetic field. Our results show that the electron interactions are significant, as they can change the total spin of the two-electron ground state of the system by adjusting the magnetic field between S = 0 and S = 1. The energy difference DeltaE between the lowest S = 0 and S = 1 states is shown as a function of the axial magnetic field. We found that the energy difference between the lowest S = 0 and S = 1 states in the strong-B S = 0 state varies linearly. Our results provide a possible realization for a qubit to be fabricated by current growth techniques.

Effect of inter-level relaxation and cavity length on double-state lasing performance of quantum dot lasers

Double-state lasing phenomena are easily observed in self-assembled quantum dot (QD) lasers. The effect of inter-level relaxation rate and cavity length on the double-state lasing performance of QD lasers is investigated on the basis of a rate equation model. Calculated results show that, for a certain cavity length, the ground state (GS) lasing threshold current increases almost linearly with the inter-level relaxation lifetime. However, as the relaxation rate becomes slower, the ratio of excited state (ES) lasing threshold current over the GS one decreases, showing an evident exponential behavior. A relatively feasible method to estimate the inter-level relaxation lifetime, which is difficult to measure directly, is provided. In addition, fast inter-level relaxation is favorable for the GS single-mode lasing, and leads to lower wetting layer (WL) carrier occupation probability and higher QD GS capture efficiency and external differential quantum efficiency. Besides, the double-state lasing effect strongly depends on the cavity length. (c) 2007 Elsevier B.V. All rights reserved.

Electronic structures of N quantum dot molecule

The electronic structures of N quantum dot molecules (QDMs) are investigated theoretically in the framework of effective-mass envelope function theory. The electron and hole energy levels are calculated. In the calculations, the effects of finite offset and valence-band mixing are taken into account. The theoretical method can be used to calculate the electronic structures of any QDM. The results show that (1) electronic energy levels decrease monotonically and the energy difference between the N QDMs decreases as the quantum dot (QD) radius increases; (2) the electron energy level is lower and quantum confinement is smaller for the larger N QDM; (3) the hole ground state energy level is lower for the one dot QDM than N (greater 1) QDMs if the QD radius is larger than about 5 nm due to the valence-band mixing. The results are useful for the application of the N QDM to photoelectric devices.

Electronic states of a hydrogenic donor impurity in semiconductor nano-structures

We propose a method for uniformly calculating the electronic states of a hydrogenic donor impurity in low-dimensional semiconductor nano-structures in the framework of effective-mass envelope-function theory, and we study the electronic structures of this systems. Compared to previous methods, our method has the following merits: (a) It can be widely applied in the calculation of the electronic states of hydrogenic donor impurities in nano-structures of various shapes; (b) It can easily be extended to study the effects of external fields and other complex cases; (c) The excited states are more easily calculated than with the variational method; (d) It is convenient to calculate the change of the electronic states with the position of a hydrogenic donor impurity in nano-structures; (e) The binding energy can be calculated explicitly. (c) 2007 Elsevier B.V. All rights reserved.

Electronic structure of Mn-doped ZnO quantum wires: A mean-field theory study

Based on the effective-mass model and the mean-field approximation, we investigate the energy levels of the electron and hole states of the Mn-doped ZnO quantum wires (x=0.0018) in the presence of the external magnetic field. It is found that either twofold degenerated electron or fourfold degenerated hole states split in the field. The splitting energy is about 100 times larger than those of undoped cases. There is a dark exciton effect when the radius R is smaller than 16.6 nm, and it is independent of the effective doped Mn concentration. The lowest state transitions split into six Zeeman components in the magnetic field, four sigma(+/-) and two pi polarized Zeeman components, their splittings depend on the Mn-doped concentration, and the order of pi and sigma(+/-) polarized Zeeman components is reversed for thin quantum wires (R < 2.3 nm) due to the quantum confinement effect.

Electronic structure of InSb quantum ellipsoids in an external magnetic field

The shape dependence of electronic structure, electron g factors in the presence of the external magnetic field of InSb quantum ellipsoids are investigated in the framework of eight-band effective-mass approximation. It is found that as the increasing aspect ratio e, the electron states with P character split into three doublets for the different physical interaction and the light-hole states with S character come up to the top of valence bands at e = 2.6 in comparison with the heavy-hole states. In the presence of the external magnetic field, the energy splits of electron states are different for their wave function distribution direction, and the hole ground state remain optical active for a suitable aspect ratio. The electron g factors of InSb spheres decrease with increasing radius, and have the value of about two for the smallest radius, about -47.2 for sufficiently larger radius, similar to the bulk material case. Actually, the electron g factors decrease as any one of the three dimensions increase. The more dimensions increase, the more g factors decrease. The dimensions perpendicular to the direction of the magnetic field affect the g factors more than the other dimensions. (c) 2006 Elsevier B.V. All rights reserved.

Electronic structure and g factors of narrow-gap zinc-blende nanowires and nanorods

The Hamiltonian in the framework of eight-band effective-mass approximation of the zinc-blende nanowires and nanorods in the presence of external homogeneous magnetic field is given in the cylindrical coordinate. The electronic structure, optical properties, magnetic energy levels, and g factors of the nanowires and nanorods are calculated. It is found that the electron states consist of many hole-state components, due to the coupling of the conduction band and valence band. For the normal bands which are monotone functions of |k(z)|, long nanorods can be modeled by the nanowires, the energy levels of the nanorods approximately equal the values of the energy band E(k(z)) of the nanowires with the same radius at a special k(z), where k(z) is the wave vector in the wire direction. Due to the coupling of the states, some of the hole energy bands of the nanowires have their highest points at k(z)=0. Especially, the highest hole state of the InSb nanowires is not at the k(z)=0 point. It is an indirect band gap. For these abnormal bands, nanorods can not be modeled by the nanowires. The energy levels of the nanorods show an interesting plait-like pattern. The linear polarization factor is zero, when the aspect ratio L/2R is smaller than 1, and increases as the length increases. The g(z) and g(x) factors as functions of the k(z), radius R and length L are calculated for the wires and rods, respectively. For the wires, the g(z) of the electron ground state increases, and the g(z) of the hole ground state decreases first, then increases with the k(z) increasing. For the rods, the g(z) and g(x) of the electron ground state decrease as the R or the L increases. The g(x) of the hole ground state decreases, the g(z) of the hole ground state increases with the L increasing. The variation of the g(z) of the wires with the k(z) is in agreement with the variation of the g(z) of the rods with the L.

Electronic states in InAs quantum spheres and ellipsoids

The eight-band effective-mass Hamiltonian of the free-standing narrow-gap InAs quantum ellipsoids is developed, and the electron and hole electronic structures as well as optical properties are calculated by using the model. The energies, wave functions and transition probabilities of quantum spheres as functions of the radius of quantum sphere R is presented. It is found that the energy levels do not vary as 1/R-2, which is caused by the coupling between the conduction and valence bands, and by the constant terms correspond to the spin-orbit splitting energy. The blueshifts of hole states depend strongly on the coupling from electron states, so that the order of hole states changes as has been predicted in experiment. The exciton binding energies are calculated, the calculated excitonic gaps as functions of the ground exciton transition energy are in good agreement with the photoluminescence measured spectra in details. Finally, the hole energy levels and the linear polarization factors in InAs quantum ellipsoids as functions of the aspect ratio are presented. The state 1S(Z up arrow)((1/2)) becomes the hole ground state when e is larger than 2.4. The saturation value of the linear polarization factors of the InAs long ellipsoids of diameter 2.0 nm is 0.86, in agreement with the experimental results.