p型掺杂Si/Ge量子点的电子拉曼散射(英文)

在本文中我们首次报道了p型掺杂的自组织Si/Ge量子点中空穴能级子带间的电子拉曼散射,此电子跃迁的能量为105meV。Si/Ge量子点Ge Ge模的共振拉曼散射表明此空穴能级间的电子拉曼散射与Γ点附近的E0(≈2.52eV)发生了共振,而E1的能量小于2.3eV.变温实验和偏振实验进一步证实了我们的指认。所有观测的实验数据与6 bandk·p能带结构理论的计算结果吻合得很好。     

Contribution of the electron-electron interaction to the optical properties of dense arrays of Ge/Si quantum dots

We present the results of an investigation of the light absorption due to interband and interlevel transitions and the photoconductivity in dense arrays of Ge quantum dots (QDs) in Si formed using the effect of self-organization during molecular-beam heteroepitaxy. It was found that the formation of charged exciton complexes composed of two holes and one electron, as well as of the be-exciton complexes in QDs of type II, leads to an increase in the energy of indirect (in real space) exciton transition, which is explained by the spatial separation of electron and hole. Self-consistent calculations of the wavefunctions for electrons and holes in exciton and in the exciton complexes showed that an electron in a single exciton is localized in the region of maximum stress for Si in the vicinity of the Ge pyramid apex, while a hole is localized near the pyramid base. In a be-exciton complex, electrons exhibit repulsion leading to their spatial separation. As a result, the second electron is bound at the boundary between Si and a continuous Ge layer in which the pyramid bases reside. The experimental data show that an increase in the charge carrier concentration in the ground state of QDs leads to a shortwave shift of the interband resonance and to the narrowing and shape change of the light absorption band, which is explained by depolarization of the external electromagnetic wave due to interaction with the collective charge density oscillations in the lateral direction of the array of Ge nanoclusters. It is established that the hole injection into an excited state of QDs leads to a longwave shift of the photoconductivity peak as a result of decay of the collective excitations and suppression of the depolarization effect.     

Photocurrent spectroscopy of indirect transitions in Ge/Si multilayer quantum dots at room temperature

Lateral photoconductivity spectra of multilayer Ge/Si heterostructures with Ge quantum dots were studied in the work proposed at room temperature. The photocurrent with minimal energy 0.48-0.56 eV that is smaller than Ge band gap was observed from such structures at the geometry of waveguide excitation. Generation of the photocurrent with the limit energy 0.48-0.56 eV was explained by spatially indirect electron transitions from heavy hole states of SiGe valence band into Δ₂-valley of the conduction band of Si surrounding. It was found out that the limit energy of such transitions decreased, as the number of SiGe quantum dot layers increased.     

Spectrum of electron-hole states of the Si/Ge structure with Ge quantum dots

The lateral photoconductivity spectra of Si/Ge multilayer structures with Ge quantum dots of various sizes are investigated. We observed optical transition lines between the hole levels of quantum dots and electronic states of Si. This enabled us to construct a detailed energy level diagram of the electron-hole spectrum of the Si/Ge structures. It is shown that the hole levels of Ge quantum dots are successfully described by the “quantum box” model using the actual sizes of Ge islands. It I found that the position of the longwavelength photosensitivity boundary of Si/Ge structures with Ge quantum dots can be controlled by changing the growth parameters.     

Electronic and optical properties of Si and Ge nanocrystals: An ab initio study

First-principles calculations within density functional theory and many-body perturbation theory have been carried out in order to investigate the structural, electronic and optical properties of undoped and doped silicon nanostructures. We consider Si nanoclusters co-doped with B and P. We find that the electronic band gap is reduced with respect to that of the undoped crystals, suggesting the possibility of impurity based engineering of electronic and optical properties of Si nanocrystals. Finally, motivated by recent suggestions concerning the chance of exploiting Ge dots for photovoltaic nanodevices, we present calculations of the electronic and optical properties of a Ge₃₅H₃₆ nanocrystal, and compare the results with those for the corresponding Si₃₅H₃₆ nanocrystals and the co-doped Si₃₃BPH₃₆.     

Electronic structure,mechanical and optical properties of ternary semiconductors Si1-xGexC (X = 0, 0.25, 0.50, 0.75, 1)

The electronic structure of silicon carbide with increasing germanium content have been examined using first principles calculations based on density functional theory. The structural stability is analysed between two different phases, namely, cubic zinc blende and hexagonal phases. The zinc blende structure is found to be the stable one for all the Si_1-xGe_xC semiconducting carbides at normal pressure. Effect of substitution of Ge for Si in SiC on electronic and mechanical properties is studied. It is observed that cubic SiC is a semiconductor with the band gap value 1.243?eV. The band gap value of SiC is increased due to the substitution of Ge and the band gap values of Si _0.75 Ge _0.25 C, Si _0.50 Ge _0.50 C, Si _0.25 Ge _0.75 C and GeC are 1.322 eV, 1.413 eV, 1.574 eV and 1.657?eV respectively. As the pressure is increased, it is found that the energy gap gets decreased for Si_1-x Ge_xC (X?=?0, 0.25, 0.50, 0.75, 1). The elastic constants satisfy the Born – Huang elastic stability criteria. The bulk modulus, shear modulus, Young’s modulus and Poisson’s ratio are also calculated and compared with the other available results.     

Intraband photoresponse of SiGe quantum dot/quantum well multilayers

In this contribution we study the intravalence band photoexcitation of holes from self-assembled Ge quantum dots (QDs) in Si followed by spatial carrier transfer into SiGe quantum well (QW) channels located close to the Ge dot layers. The structures show maximum response in the important wavelength range 3–5 μm. The influence of the SiGe hole channel on photo- and dark current is studied depending on temperature and the spatial separation of QWs and dot layers. Introduction of the SiGe channel in the active region of the structure increases the photoresponsivity by up to about two orders of magnitude to values of 90 mA/W at T=20 K. The highest response values are obtained for structures with small layer separation (10 nm) that enable efficient transfer of photoexcited holes from QD to QW layers. The results indicate that Si/Ge QD structures with lateral photodetection promise very sensitive large area mid-infrared photodetectors with integrated readout microelectronics in Si technology.     

Vibrational density of states of hen egg white lysozyme

The resonant Raman scattering in GeSi/Si structures with GeSi quantum dots has been analyzed. These structures were formed at various temperatures in the process of molecular-beam epitaxy. It has been shown that Raman scattering spectra recorded near resonances with the E₀ and E₁ electronic transitions exhibit the lines of Ge optical phonons whose frequencies differ significantly from the corresponding values in bulk germanium. In the structures grown at low temperatures (300–400°C), the phonon frequency decreases with increasing excitation energy. This behavior is attributed to Raman scattering, which is sensitive to the size of quantum dots, and shows that quantum dots are inhomogeneous in size. In the structures grown at a higher temperature (500°C), the opposite dependence of the frequency of Ge phonons on excitation energy is observed. This behavior is attributed to the competitive effect of internal mechanical stresses in quantum dots, the localization of optical photons, and the mixing of Ge and Si atoms in structures with a bimodal size distribution of quantum dots.     

Carrier gas effects on the SiGe quantum dots formation

SiGe quantum dots (QDs) grown by ultra-high vacuum chemical vapor deposition using H₂ and He carrier gases are investigated and compared. SiGe QDs using He carrier gas have smaller dot size with a better uniformity in terms of dot height and dot base as compared to the H₂ carrier gas. There is a higher Ge composition and less compressive strain in the SiGe QDs grown in He than in H₂ as measured by Raman spectroscopy. The Ge content is higher for He growth than H₂ growth due to hydrogen induced Si segregation and the lower interdiffusivity caused by the more strain relaxation in the He-grown SiGe dots. The photoluminescence also confirms more compressive strain for H₂ growth than He growth. Hydrogen passivation and Ge-H cluster formation play an important role in the QDs growth.     

Raman E 1, E 1+Δ1 resonance in unstrained germanium quantum dots

Raman scattering by optical phonons in unstrained Ge quantum dots obtained in GaAs/ZnSe/Ge/ZnSe structures was studied using molecular beam epitaxy. A shift in the E ₁, E ₁+Δ1 resonance energy due to the quantization of the spectrum of electron and hole states in quantum dots was observed. The properties observed were explained with the use of a simplest model of localization with allowance for the spectrum of Ge electron states.     

Semiconductor quantum dots and related systems: Electronic,optical, luminescence and related properties of low dimensional systems

This review seeks to extend the scope of both the experimental and theoreticalwork carried out since I completed my 1993 review on the electronic, optical, andto a lesser extent, the transport properties of a variety of semiconductor quantumdots (QDs). In addition to the many advances that have been made on topics suchas quantum confinement effects (QCE), optical and luminescence properties,energy levels, and theoretical models that were dealt with in outline then, anumber of new themes have emerged. These include detailed studies on singleQDs such as InAs, InP, CuCl, etc, and this became possible due to thedevelopment of several microtechniques such as scanning near field opticalmicroscopy, SNOM or NSOM, as well as the use of improved growth proceduressuch as those involving MBE and the Stranski-Krastanow (SK) growth method, orby better chemical processing. By concentrating on single dots, it has provedpossible to limit the extent of the line broadening for the optical absorption andluminescence peaks due to the variation in dot sizes in the more usual types of films used. Line half widths (FWHM) in the microvolt region have now been recorded, and this has helped in the identification and resolution of excitons, biexcitons, higher excited states, and both positive and negative charged excitons, when these lie close together in energy. Quantum dots such as CdSe and CuCl which can be considered as the model systems have been the most extensively investigated, and in the case of CdSe dots, reasonable theoretical models have been developed to predict energy levels and optical properties as a function of dot size even for the difficult case of strong confinement, when R ≤ α_B, the bulk exciton Bohr radius. Although problems still exist in relating predictions to all the experimental data, they have helped to identify exciton features near to and above the first main absorption peak and other optoelectronic features. A good deal of effort has now gone into the study of the III-V systems such as InP, InAs, GaAs, and GaN QDs, as well as on porous Si (PS) and Si and Ge dots. This has been largely driven by the possibility that devices such as lasers, LEDs and devices depending on single electron transport and tunnelling might be developed, an area where there is significant technological potential. For dots such as InAs etc prepared by the SK method, where there is a mismatch in lattice parameters between the InAs and the substrate such as GaAs, the dots tend to have a roughly pyramidal shaped profile, and the dot also sits on a thin InAs wetting layer. Both 2d and 3d ordered arrays of QDs can be formed using this procedure. The photoluminescence (PL) efficiency for such systems can be unexpectedly high, and there have been attempts to explain this effect as being due to the avoidance of the so-called 'phonon bottleneck' by Auger type transitions, but this is still a controversial matter. Other phenomena that are discussed include: (1) exciton- phonon coupling interactions, particularly as applied to QDs such as those formed from CuCl, CuBr, PbS, etc.; (2) coupled QDs for which dot- dot interactions need to be considered; (3) porous Si (PS), a system of considerable interest since the observation of strong PL emission features in the PL spectra by Canham in 1990, even though Si has an indirect gap, and on the practical side there has been much effort in the development of devices such as lasers, LEDs and other electroluminescence (EL) devices, and more recently for biological and medical applications, where PS, because of its porous structure, can be a host lattice for biochemical compounds in a manner similar to some zeolites. However the structure of PS is rather complex, and filaments, embryonic Si dots, as well as well formed dots, oxide interfaces of uncertain composition, and compounds containing hydrogen may all be present, and this makes it difficult to make reasonable assignments to some of the optical features present in the spectra. (4) Type II QDs that concern spatially indirect systems, and this can refer to both space and wave vector k. Instead of the electron e and hole h for an e- h pair (exciton) both residing in dot, for most of the Type II systems the h resides in the dot while the e is in the matrix in which the dots are distributed or at the interfaces. The systems considered depend on the band of sets, and include combinations such as GaAs- AlAs and CdTe- HgTe etc. (5) Hydrogenic-type donors in semiconductor QDs. (6) Excitons, biexcitons, charged excitons (both positive and negative), or trions. (7) Quantum dot- quantum well (QD-QW) combinations, also described as thin film-QD or core- shell composites, for example CdS QDs coated with a thin layer of the smaller band gap semiconductor HgS acting as a QW followed by a further CdS coating or 'clad' or 'shell'. (8) QD- conjugated organic polymer composites, a topic developed by Alivisatos, Greenham and Bawendi and their colleagues in the mid nineties, where the polymer acts as a hole conductor in an EL or LED type of device, where the wavelength of the emitted light due to e- h recombination that occurs preferably near the interface, can be varied by altering the QD radius. The possible formation of hybrid Mott-Wannier and Frenkel excitons is also briefly considered. (9) The variation of the QD dielectric constant with QD size E ₂(R), has been considered by several investigators, their calculations suggest that the dielectric constant decreases substantially as R is reduced. This effect has been ignored in many contributions even though E ₂ enters into the equations dealing with QSE or quantum size effects, a _B, E _b, and oscillator strengths (OS), and its omission will influence the calculated estimates for these quantities. (10) Finally, single electron transport and tunnelling in single and coupled QDs, and the Coulomb blockade (CB) are considered, but only in outline since this is a large problem, but it is clearly an important topic particularly in connection with the development of computing and information processing systems.     

LiB6Si: An indirect band gap semiconductor

Using first-principle calculations, mechanical properties, electronic structure, and Raman spectra of LiB₆Si structure were investigated. The band structures calculated by GGA-PBE and HSE06 methods reveal that LiB₆Si is an indirect band gap semiconductor. The band gap estimated by HSE06 method is about 2.24 eV, which is in good agreement with that of experimental value 2.27 eV. The calculated tensile stress-strain curves of LiB₆Si reveal that [010] direction is the cleavage direction under tensile strains. The calculated Raman spectra of LiB₆Si are also in good agreement with that of measured. The position of the band gap may provide a basis for further photocatalysis research on LiB₆Si.     

Folded acoustic phonons in Si/Ge superlattices with Ge quantum dots

The spectra of Raman scattering by folded acoustic phonons in Si/Ge superlattices with pseudomorphic layers of Ge quantum dots (QDs) grown by low-temperature (T = 250°C) molecular beam epitaxy are studied. New features of the folded phonon lines related to the resonant enhancement and unusual intensity ratio of the doublet lines that cannot be explained by the existing theory have been observed. The observed modes are shown to be related to the vibrations localized to the QDs and induced by the folded phonons of the Si spacer layers. The calculations performed in the model of a one-dimensional chain of atoms have allowed the nature of the localization of acoustic phonons attributable to a modification of the phonon spectrum of a thin QD layer to be explained. The observed intensity ratio of the folded phonon doublet lines is caused by asymmetry of the relief of the QD layers.     

Electronic structure and optical gain of InAsPN/GaP(N) quantum dots

The electronic structure and optical gain of InAsPN/GaP(N) quantum dots (QDs) are investigated in the framework of the effective-mass envelope function theory. The strain distribution is calculated using the valence force field (VFF) method. With GaP barrier, for smaller InAsPN QDs, the minimum transition energy may occur at a lower phosphorous (P) composition, but for larger QDs, the transition energy increases as P composition increases due to the increased bandgap of alloy QDs. When the nitrogen (N) composition increases, the transition energy decreases due to the stronger repulsion between the conduction band (CB) and the N resonant band, and the transition matrix element (TME) is more affected by the transition energy rather than N–CB mixing. To obtain laser materials with a lattice constant comparable to Si, we incorporated 2% of N into the GaP barrier. With this GaP_0.98N_0.02 barrier, the conduction band offset is reduced, so the quantum confinement is lower, resulting in a smaller transition energy and longer wavelength. At the same time, the TME is reduced and the optical gain is less than those without N in the barrier at a low carrier density, but the peak gain increases faster when the carrier density increases. Finally it can surpass and reach a greater saturation optical gain than those without N in the barrier. This shows that incorporating N into GaP barriers is an effective way to achieve desirable wavelength and optical gain.     

形变超晶格Si/Ge的能带结构

用经验的紧束缚方法对短周期的(Si)_n/(Ge)_m形变超晶格的电子态进行了计算。结果表明,由于布里渊区折迭的要求,只有当n+m=10时超晶格才可能产生直接能隙。对周期为n+m=10的超晶格,Γ,N,△处的导带谷间的相对位置对直接能隙的形成具有决定作用,而n的大小与衬底的组分对此有极大影响。(Si)₆/(Ge)₄和(Si)₈/(Ge)₂超晶格在Si_1-xG 关键词：     

The studies of Ge quantum dots on strained Si0.7Ge0.3 layer by photoluminescence and deep level transient spectroscopy

Systematic studies of Ge quantum dots (QDs) grown on strained Si_0.3Ge_0.7 layer have been carried out by photoluminescence (PL) and deep level transient spectroscopy (DLTS). In PL measurements, two peaks around 0.7 eV are distinguished, which are assigned to two types of QDs observed by atomic force microscopy (AFM). Large blueshifts of the PL peaks from small QDs with the increase of excitation power are observed and attributed to the band bending effects typical for type-II band alignment. From DLTS measurements, the energy levels of holes in both types of QDs are derived, which shift with the change of the number of holes in QDs due to their charge energy. By comparing results from PL and DLTS measurements, further understanding of band alignment with the increase of the number of excitons in QDs is deduced.     

Hole states in artificial molecules formed by vertically coupled Ge/Si quantum dots

In the tight binding approximation, the spatial configuration of the ground state and the binding energy of a hole in a “diatomic” artificial molecule formed by vertically coupled Ge/Si(001) quantum dots are studied. The inhomogeneous spatial distribution of elastic strain arising in the medium due to the lattice mismatch between Ge and Si is taken into account. The strain is calculated using the valence-force-field model with a Keating interatomic potential. The formation of the hole states is shown to be determined by the competition of two processes: the appearance of a common hole due to the overlapping of “atomic” wavefunctions and the appearance of asymmetry in the potential energy of a hole in the two quantum dots because of the superposition of the elastic strain fields from the vertically aligned Ge nanoclusters. When the thickness of the Si layer separating the Ge dots (t _Si) is greater than 2.3 nm, the binding energy of a hole in the ground state of the two-dot system proves to be lower than the ionization energy of a single quantum dot because of the partial elastic stress relaxation due to the coupling of the quantum dots and due to the decrease in the depth of the potential well for holes. For the values of the parameter t _Si, an intermediate region is revealed, where the covalent molecular bond fails and the hole is localized in one of the two quantum dots, namely, in the dot characterized by the highest strain values.     

Ge dots on Si (1 1 1) and (1 0 0) surfaces with SiO2 coverage: Raman study

Germanium quantum dots formed on Si (1 1 1) and (1 0 0)-oriented surfaces coated with ultra-thin oxide layers are studied using Raman spectroscopy technique. Some structural properties (height, stoichiometry and mechanical stresses) of the dots were estimated from Raman data. For analysis of the experimental data, the Raman spectra of Ge nanoclusters containing some hundreds of Ge atoms were calculated numerically. The effects of the resonance enhancement of the intensity of Raman scattering in the Ge-nanoclusters–SiO₂–Si system were discussed. The influence of the lateral sizes of Ge nano-clusters on the frequencies of phonons localized in them was studied using numerical simulation. The influence of multi-layer growth on the structure of the Ge quantum dots was investigated.     

Electronic energy alignment at the PbSe quantum dots/ZnO(101̅0) interface

A number of solar energy conversion strategies depend on exciton dissociation across interfaces between semiconductor quantum dots (QDs) and other electron or hole conducting materials. A critical factor governing exciton dissociation and charge transfer in these systems is the alignment of electronic energy levels across the interface. We probe interfacial electronic energy alignment in a model system, sub-monolayer films of PbSe QDs adsorbed on single crystal ZnO(101?0) surfaces using ultraviolet photoemission spectroscopy. We establish electronic energy alignment as a function of quantum dot size and surface chemistry. We find that replacing insulating oleic-acid capping molecules on the QDs by the short hydrazine or ethanedithiol molecules results in pinning of the valence band maximum (VBM) of QDs to ZnO substrate states, independent of QD size. This is in contrast to similar measurements on TiO₂(110) where the alignment of the PbSe QD VBM to that of the TiO₂ substrate depends on QD size. We interpret these findings as indicative of strong electronic coupling of QDs with the ZnO surface but less with the TiO₂ surface. Based on the measured energy alignment, we predict that electron injection from the 1s_e level in photo-excited PbSe QDs to ZnO can occur with small QDs (diameter ? = 3.4 nm), but energetically unfavorably for larger dots (? = 6.7 nm). In the latter, hot electrons above the 1s_e level are necessary for interfacial electron injection.     

Modified excitonic resonances in GaAs/AlAs multiple quantum well heterostructures with ultrathin barriers

Excitonic resonance structures in GaAs/AlAs multiple quantum well heterostructures with varying barrier-layer thicknessesL _B down to 1.3 nm are investigated for two sets of samples with the nominal well widths ofL _Z =9.2 and 6.4 nm, by 2K photoluminescence excitation spectroscopy. The observed resonance energies of then=1 heavyhole (1 hh) and light-hole (1 lh) free excitons imply that quantum confinement effects persist at least down to the decreased barrier-layer thickness ofL _B =1.3 nm. This result is inconsistent with the red shifts expected from the simple well-coupling theory within the one-band Kronig-Penney model at the point. Instead, blue shifts of 6–8 meV (8–17 meV) are observed for the 1 hh (1 lh) excitonic resonance peaks whenL _B is decreased from 10 to 2 nm. A relative decrease of the oscillator strength of the 1 lh transition compared to the 1 hh transition is also observed asL _B is decreased. These results manifest important effects of the indirect-gap barrier material for the actual wavefunction matching across the interface and the breakdown of the envelope function approach to GaAs/AlAs quantum well heterostructures with ultrathin barriers.