Interface and propagating optical phonon mixing modes in a wurtzite GaN-based quantum dot

The polar optical phonon vibrating modes of a quasi-zero-dimensional (Q0D) wurtzite cylindrical quantum dot (QD) are solved exactly based on the dielectric continuum model and Loudon’s uniaxial crystal model. The result shows that there exist four types of polar mixing optical phonon modes in the Q0D wurtzite cylindrical QD systems, which is obviously different from the situation in blende cylindrical QDs. The dispersive equations for the interface-optical-propagating (IO-PR) mixing modes are deduced and discussed. It is found that the dispersive frequency of IO-PR mixing modes in wurtzite QD just take a series of discrete values due to the three-dimensional confined properties. Moreover, once the radius or the height of the QD approach infinity, the dispersive equations of the IO-PR mixing modes in the wurtzite Q0D cylindrical QD can naturally reduce to those of the IO and PR modes in Q2D QWs or Q1D QWWs systems. This has been analyzed reasonably from both physical and mathematical viewpoints. The analytical expressions obtained in the paper are useful for further investigating phonon influence on physical properties of the wurtzite Q0D QD systems.     

One-dimensional single (In,Ga)As quantum dot arrays formed by self-organized anisotropic strain engineering

Well-defined one-dimensional single (In,Ga)As quantum dot (QD) arrays have been successfully formed on planar singular GaAs (1 0 0) in molecular beam epitaxy by self-organized anisotropic strain engineering of an (In,Ga)As/GaAs quantum wire (QWR) superlattice (SL) template. The distinct stages of template formation, which govern the uniformity of the QD arrays, are directly imaged by atomic force microscopy (AFM). The AFM results reveal that excess strain accumulation causes fluctuations of the QWR template and the QD arrays. By reducing the amount of (In,Ga)As and increasing the GaAs separation layer thickness in each SL period, the uniformity of the QD arrays dramatically improves. The single QD arrays are straight over more than 1 μm and extended to 10 μm length. Capped QD arrays show clear photoluminescence emission up to room temperature.     

Characterization of Cu(In,Ga)Se2 thin films prepared by evaporationfrom ternary compounds

Thin films of Cu(In,Ga)Se₂ were fabricated by evaporation from ternary CuGaSe₂ and CuInSe₂ compounds for photovoltaic device applications and their properties were investigated. From XRF analysis, the Cu:(In+Ga):Se atomic ratio in all thin films was approximately 1:1:2. The Ga/(In+Ga) atomic ratio in the thin films changed linearly from 0 to 1.0 with increasing the [CGS]/([CGS]+[CIS]) mole ratio in the evaporating materials. However, for thin films prepared at the [CGS]/([CGS]+[CIS]) mole ratio above 0.4, the composition by EPMA analysis was not consistent with that by XRF analysis. The result of EPMA analysis showed that the surface of a thin film was Cu-rich. XRD studies demonstrated that the thin films prepared at the [CGS]/([CGS]+[CIS]) mole ratio under 0.2 had a chalcopyrite Cu(In,Ga)Se₂ structure and the preferred orientation to the 112 plane. On the other hand, XRD patterns of the thin films produced at the [CGS]/([CGS]+[CIS]) mole ratio above 0.6 showed the diffraction lines from a chalcopyrite Cu(In,Ga)Se₂ and a foreign phase. The separation of a peak was observed near 2θ=27°, indicative the graded Ga concentration in Cu(In,Ga)Se₂ thin film.     

Features of the formation of Mn doped InAs/GaAs quantum dots by vapor phase epitaxy

A self-organized InAs/GaAs quantum dot (QD) array is doped with Mn. The effect of the Mn concentration on the morphology and QD luminescence properties is investigated. It is found that Mn deltadoping of the GaAs buffer layer before QD growth with a layer concentration of 10¹⁴ cm^?2 leads to the formation of an array of large QDs with variable composition In _x Ga_{1 ? x} As. The effect is explained within a model of In and Ga atom interdiffusion.     

Intrinsic magnetism induced by vacancy in GaN

We performed total energy electronic-structure calculations based on DFT that clarify the intrinsic magnetism of undoped GaN. The magnetism is due to Ga, instead of N, vacancies. The origin of magnetism arises from the unpaired 2p electrons of N surrounding Ga vacancy. At a vacancy concentration of 5.6%, the ferromagnetic state is 181 meV lower than the antiferromagnetic state. Our findings are helpful to gain a more novel understanding of structural and spin properties of Ga vacancy in wurtzite GaN and also provide a possible way to generate magnetic GaN by introducing Ga vacancies instead of doping with transition-metal atoms.     

Theoretical study of the optical absorption and refraction index change in a cylindrical quantum dot

Analytical expressions of the optical absorption coefficient and the change in refractive index associated with intraband relaxation in a cylindrical quantum dot are obtained by using the density matrix formalism. Energy levels in conduction band were calculated with finite confining potential in the framework of the effective-mass envelope-function theory. Numerical calculations on a typical GaAs/AlβGa1−βAs QD are performed. It is found that the absorption and refraction index change sensitively depend not only on the incident optical wave but also on the dot size and the Al mole fraction β in the AlβGa1−βAs material.     

Electronic structure,phase stability,and vibrational properties of Ir-based intermetallic compound IrX (X=Al,Sc, and Ga)

The phase stability and mechanical properties of B2 type IrX (X=Al, Sc and Ga) compounds are investigated. Self-consistenttotal-energy calculations in the framework of density functional theory using the Generalized Gradient Approximation (GGA) to determine the equations of state and the elastic constants of IrX (X=Al, Sc, and Ga) in the B2 phase have been performed. The calculations predicted the equilibrium lattice constants, which are about 1% greater than experiments for IrAl, 1.81% for IrGa, and 0.71% for IrSc compound. IrAl is shown to be the least compressible, and it is followed by IrGa and the IrSc compound. The phase stability of the studied compounds is checked. The brittleness and ductility properties of IrX (X=Al, Sc, and Ga) are determined by Poisson's ratio σ criterion and Pugh's criterion. IrGa compound is a ductile material; however, IrAl and IrSc show brittleness. The band structure and density of states (DOS), and phonon dispersion curves have been obtained and analyzed. The position of the Fermi level and the contribution of d electrons to the density of states near E_F is studied and discussed in detail. We also used the phonon density of states and quasiharmonic approximation to calculate and predict some thermodynamic properties such as constant-volume specific heat capacity of the B2 phase of IrX (X=Al, Sc and Ga) compounds.     

Epitaxial Cu(In,Ga)S2 thin film solar cells

Epitaxial layers of the quaternary compound Cu(In,Ga)S₂ and the ternary compound CuInS₂ were grown on Si(111) substrates via Molecular Beam Epitaxy. The layers were investigated for their morphological and structural properties using Rutherford backscattering spectroscopy, atomic force microscopy, reflection high-energy electron diffraction and X-Ray diffraction. Furthermore, complete solar cell devices were processed from these layers and their photovoltaic properties were investigated by means of I(U)-curves under illumination. Thus, efficiencies up to η=3.2% were achieved. The comparatively low performance of the solar cell devices is attributed to certain heterogeneities of the samples as a result of the growth process.     

Kondo Resonance versus Fano Interference in Double Quantum Dots Coupled to a Two-Lead One-Ring System

We analyse the transport properties of a coupled double quantum dot （DQD） device with one of the dots （QD1） coupled to metallic leads and the other （QD2） embedded in an Aharonov-Bhom （A-B） ring by means of the slaveboson mean-field theory. It is found that in this system, the Kondo resonance and the Fano interference exist simultaneously, the enhancing Kondo effect and the increasing hopping of the QD2-Ring destroy the localized electron state in the QD2 for the QD1-leads, and accordingly, the Fano interference between the DQD-leads and the QD1-leads are suppressed. Under some conditions, the Fano interference can be quenched fully and the single Kondo resonance of the QD1-leads comes into being. Moreover, when the magnetic flux of the A-B ring is zero, the influence of the parity of the A-B ring on the transport properties is very weak, but this influence becomes more obvious with non-zero magnetic flux. Thus this model may be a candidate for future device applications.     

A superstructural 2D-phase diagram for Ga on the Si(111)- 7x7 system

The structural modifications of an Si(111)- 7x7 reconstructed surface and the evolution of growth induced by Ga adsorption in the submonolayer regime at various substrate temperatures ranging from room temperature (RT) to 600 °C, with a low Ga flux rate of 0.1 ML/min (1 ML∼6.8×10¹⁴ atoms/cm²) have been studied in-situ in Ultra High Vacuum (UHV) using Auger Electron Spectroscopy (AES), Low Energy Electron Diffraction (LEED) and Electron Energy Loss Spectroscopy (EELS) as characterization probes. Ga grows in the Stranski-Krastanov (SK) growth mode for temperatures ranging from RT to 350 °C, where 3D-islands form after one and two flat monolayers of Ga adsorption, while for higher temperatures ranging from 450 to 550 °C, Ga grows in the Volmer-Weber (VW) growth mode. A comprehensive 2D-phase diagram for this Ga/Si(111) system for adsorption, which provides pathways to attain the observed superstructural phases, viz., √3x√3-R30°, 6.3x6.3, 6.3√3x6.3√3-R30° and 11x11, has been investigated. The characteristic EELS spectrum for each superstructural phase is also reported in this study.     

Carrier tuning of type-I clathrate single crystals

A method to precisely control the carrier properties for single crystalline type-I clathrate is investigated. Polycrystalline samples are synthesized first according to the theoretical ratio for carrier control, and followed by Ga flux single crystal growth process. The composition of single crystals was determined by Inductively Coupled Plasma Atomic Emission Spectrometry (ICP), and the detailed structure was determined by using high-resolution X-ray diffraction. The carrier type and concentration can be tuned by changing the Ba/Ga composition for Ba₈Ga₁₆Ge₃₀ (BGG), while only n-type carrier can be achieved in Sr₈Ga₁₆Ge₃₀ (SGG). X-ray diffraction analysis shows that the different occupancy factors of the endohedral chemical species may be the reason for this carrier difference between BGG and SGG.     

Self-assembling of In(Ga)As/GaAs quantum dots on (N11) substrates: the (311)A case

We have investigated the In(Ga)As island formation, in the Stranski-Krastanov growth mode, on (311)A GaAs substrates. The surface topography of InAs and InGaAs strained epilayers was studied by contact microscopies. The different substrate affects the overgrown island shape. In(Ga)As grown on (311)A gives rise to quantum wire-like islands. Quantum dots (QDs), but with highly anisotropic shapes, are the outcomes of InAs deposition. QD samples were also characterized by photoluminescence (PL) measurements. Correlation between optical and morphological properties was observed.     

Electron-density distribution and physical properties of plutonium-gallium alloys: Ab initio cluster calculations

A cluster model based on ab initio density-functional theory was used to model gallium-stabilized δ-plutonium alloys, and to calculate the electron-density distribution, its pressure dependence, bond lengths, elastic properties (second order and third order), and inelastic properties for Pu₁₂Ga (7.7 at% Ga) and Pu₁₈Ga (5.3 at% Ga). The electron distribution was found to contain localized, semi localized, and delocalized contributions, with the second possessing covalent character. Two of plutonium’s 8 valence electrons were found to be itinerant, consistent with a recent prediction based on an electrostatic model, with the electron configuration for plutonium being 7s^0.57p^0.55f¹ (itinerant) and 6d¹5f⁵ (localized), and that for gallium being 4s¹4p². Applied hydrostatic pressure shifts the charge density toward a more localized Pu(d)-based distribution. The onset of the pressure-induced δ-Pu to α-Pu phase change is accompanied by a ∼0.2 electron increase in the localized population that may serve as a driving force for the phase change. Interior bonding within the Pu₁₂Ga subunits is stronger than that of the surrounding plutonium lattice, and the Pu-Ga bonds therein relax in a direction opposite to lattice strain. This study predicts covalency in metallic plutonium, both in the Pu-Ga bonding and in the Pu-Pu bonding.     

Band-gap grading in Cu(In,Ga)Se2 solar cells

The quaternary system Cu(In,Ga)Se₂ (CIGS) allows the band gap of the semiconductor to be adjusted over a range of 1.04-1.67 eV. Using a non-uniform Ga/In ratio throughout the film thickness, additional fields can be built into p-type CIGS-based solar cells, and some researchers have asserted that these fields can enhance performance. The experimental evidence that grading improves device performance, however, has not been compelling, mostly because the addition of Ga itself improves device performance and hence a consistent separation of the grading benefit has not always been achieved. Numerical modeling tools are used in this contribution to show that (1) there can be a beneficial effect of grading, (2) in standard thickness CIGS cells the benefit is smaller than commonly believed, (3) there is also the strong possibility of reduced rather than of increased device performance, and (4) thin-absorber cells derive more substantial benefit.     

Ionized Acceptor Bound Exciton States in Wurtzite GaN/Al_xGa(1-x)N Cylindrical Quantum Dot

Based on the framework of the effective-mass approximation,the ionized acceptor bound exciton(A-,X) binding energy and the emission wavelength are investigated for a cylindrical wurtzite(WZ) GaN/Al x Ga1-x N quantum dot(QD) with finite potential barriers by means of a variational method.Numerical results show that the binding energy and the emission wavelength highly depend on the QD size,the position of the ionized acceptor and the Al composition x of the barrier material Al x Ga1-x N.The binding energy and the emission wavelength are larger when the acceptor is located in the vicinity of the left interface of the QD.In particular,the binding energy of(A-,X) complex is insensitive to the dot height when the acceptor is located at the left boundary of the QD.The ionized acceptor bound exciton binding energy and the emission wavelength are both increased if Al composition x is increased.     

Influence of the Ga addition on optical properties of Pr in Ge–Sb–Se glasses

Absorption and emission spectra for the ³H₄↔(³F₂, ³H₆) transition of Pr³⁺ ions embedded in Ge–Sb–Se glasses turned out to change systematically upon the introduction of a small amout of Ga. Clear blueshift of the absorption peak wavelengths together with the decrease of absorption cross-section was evident in these glasses containing Ga. We believe that the Ga addition into the conventional covalent selenide glasses makes chemical bonds between rare earth atoms and Se atoms more ionic due to preferential location of the GaSe₄ tetrahedra at the second coordination shell of a rare earth atom. Taking into consideration the hypersensitive nature of the Pr³⁺: ³H₄↔³F₂ transition, the observed blueshift may manifest the enhanced ionicity of the chemical bonds between Pr and Se in the current Ga-containing glasses.     

Exciton states and interband optical transitions in ZnO/MgZnO quantum dots

Within the framework of the effective-mass approximation, the exciton states confined in wurtzite ZnO/MgZnO quantum dot (QD) are calculated using a variational procedure, including three-dimensional confinement of carriers in the QD and the strong built-in electric field effect due to the piezoelectricity and spontaneous polarizations. The exciton binding energy and the electron-hole recombination rate as functions of the height (or radius) of the QD are studied. Numerical results show that the strong built-in electric field leads to a remarkable electron-hole spatial separation, and this effect has a significant influence on the exciton states and optical properties of wurtzite ZnO/MgZnO QD.     

Microstructural and optical properties of multiple closely stacked InAs/GaAs self-assembled quantum dot arrays

The microstructural and the optical properties of multiple closely stacked InAs/GaAs quantum dot (QD) arrays were investigated by using atomic force microscopy (AFM), transmission electron microscopy (TEM), and photoluminescence (PL) measurements. The AFM and the TEM images showed that high-quality vertically stacked InAs QD self-assembled arrays were embedded in the GaAs barriers. The PL peak position corresponding to the interband transitions from the ground electronic subband to the ground heavy-hole band (E₁-HH₁) of the InAs/GaAs QDs shifted to higher energy with increasing GaAs spacer thickness. The activation energy of the electrons confined in the InAs QDs increased with decreasing with GaAs spacer thickness due to the coupling effect. The present results can help to improve the understanding of the microstructural and the optical in multiple closely stafcked InAs/GaAs QD arrays.     

Emission and strain in InGaAs/GaAs quantum wells with InAs quantum dots obtained at different temperatures

The photoluminescence (PL), its temperature dependence and X ray diffraction (XRD) have been studied in the symmetric In_0.15Ga_0.85As/GaAs quantum wells (QWs) with embedded InAs quantum dots (QDs), obtained with the variation of QD growth temperatures (470–535 °C). The increase of QD growth temperatures is accompanied by the enlargement of QD lateral sizes (from 12 up to 28 nm) and by the shift non monotonously of PL peak positions. The fitting procedure has been applied for the analysis of the temperature dependence of PL peaks. The obtained fitting parameters testify that in studied QD structures the process of In/Ga interdiffusion between QDs and capping/buffer layers takes place partially. However this process cannot explain the difference in PL peak positions.     

Nonuniform composition profile in In0.5Ga0.5As alloy quantum dots

We use cross-sectional scanning tunneling microscopy to examine the shape and composition distribution of In0.5Ga0.5As quantum dots (QDs) formed by capping heteroepitaxial islands. The QDs have a truncated pyramid shape. The composition appears highly nonuniform, with an In-rich core having an inverted-triangle shape. Thus the electronic properties will be drastically altered, relative to the uniform composition generally assumed in device modeling. Theoretical analysis of the QD growth suggests a simple explanation for the unexpected shape of the In-rich core.