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W. Pogosov M. Combescot 《The European Physical Journal B - Condensed Matter and Complex Systems》2009,68(2):183-192
By using the composite many-body theory for Frenkel excitons we have recently developed, we here derive the ground state energy
of N Frenkel excitons in the Born approximation through the Hamiltonian mean value in a state made of N identical Q = 0 excitons. While this quantity reads as a density expansion in the case of Wannier excitons, due to many-body effects induced
by fermion exchanges between N composite particles, we show that the Hamiltonian mean value for N Frenkel excitons only contains
a first order term in density, just as for elementary bosons. Such a simple result comes from a subtle balance, difficult
to guess a priori, between fermion exchanges for two or more Frenkel excitons appearing in Coulomb term and the ones appearing
in the N exciton normalization factor – the cancellation being exact within terms in 1/Ns where Ns is the number of atomic sites in the sample. This result could make us naively believe that, due to the tight binding approximation
on which Frenkel excitons are based, these excitons are just bare elementary bosons while their composite nature definitely
appears at various stages in the precise calculation of the Hamiltonian mean value. 相似文献
3.
Mechanical strains in a multilayer Ge/Si(001) heterostructure with vertically aligned Ge nanoclusters (quantum dots) are calculated using an interatomic potential based on the Keating valence-force-field model. It is found that the nonuniform spatial elastic strain distribution in this medium gives rise to a three-dimensional potential well for electrons in the strained Si layers near Ge nanoclusters. The depth of the potential well reaches 100 meV, and its spatial dimensions are determined by the diameter of the Ge nanoclusters. For a structure consisting of four Ge islands 23 nm in diameter arranged one above another, the electron binding energies in this well and the spatial electron density distribution are determined. The ground state has an s-like symmetry and is characterized by an electron binding energy of ~95 and ~60 meV for the elemental composition of Ge in the nanoclusters c = 1 and c = 0.7, respectively. The existence of bound electron states in the conduction band of strained Si must lead to a relaxation of the selection rules that determine the low efficiency of the radiative recombination in indirect-gap semiconductors. This explains the high value of the oscillator strength observed for the interband transitions in multilayer Ge/Si(001) structures with vertical correlation of the arrangement of Ge nanoclusters. 相似文献
4.
The electronic structure of SixGe1?x solid solutions is studied by means of a semi-ab initio method without involving the virtual crystal approximation. The calculations are performed on large cubic cells of the diamond lattice which contain a total of 64 Si and Ge atoms homogeneously distributed in different compositional ratios. The basis functions and the potentials used in the calculation give good band structures of elemental Si and Ge respectively. The calculated variation of band gap with x is in agreement with optical experiment: the two linear curves of gap vs concentration have different slopes at high and low x values with a crossing-over at about x=0.28. The band gaps are direct for xε (0, 0.28) and indirect for x ≥ 0.28. The density of states (DOS) of the solid solution can be very well approximated by the weighted average of the bulk Si and Ge DOS. There is a very slight charge transfer of about 0.05 electron per atom from Si to Ge. 相似文献
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First-principles calculations have been carried out to investigate intrinsic defects including vacancies, interstitials, antisite defects, Frenkel and Schottky defects in the 312 MAX phase Ti3SiC2. The formation energies of defects are obtained according to the elemental chemical potentials which are determined by the phase stability conditions. The most stable self-interstitials are all found in the hexahedral position surrounded by two Ti(2) and three Si atoms. For the entire elemental chemical potential range considered, our results demonstrated that Si and C related defects, including vacancies, interstitials and Frenkel defects are the most dominant defects. Besides, the present calculations also reveal that the formation energies of C and Si Frenkel defects are much lower than those of all Schottky defects considered. In addition, the calculated profiles of densities of states for the defective Ti3SiC2 indicate that these defects should have great influence on its thermal and electrical properties. 相似文献
6.
采用经验的紧束缚方法对生长在Si(001)衬底上的应变合金GexSi1-x的光学常数进行了计算。应变对电子能带结构的影响,通过紧束缚参数随键角方向余弦的变化以及键长按经验的标度定则的变化而进行计算。其中标度指数根据对Ge和Si的畸变势常数的实验值进行拟合而确定。计算介电常数虚部时出现的动量矩阵元,根据对Ge和Si的介电常数虚部的实验曲线拟合而决定。列出了当x=0.2和1时的光学常数——介电常数虚部ε2、折射率n、吸收系数α和反射率R的计算结 相似文献
7.
对1.55μm波长的Si1-xGex光波导和Si1-xGex/Si多量子阱(MQW)红外探测器的集成器件结构进行了系统的分析和优化设计。优化结果为:1)对Si1-xGex光波导,Ge含量x=0.05,脊宽、高和腐蚀深度分别为8、3和2.6μm;2)对Si1-xGex/Si多量子阱红外探测器,Ge含量x=0.5,探测器由厚度为550nm、23个周期的6nmSi0.5Ge0.5+17nmSi组成,长度约2mm。结果表明,这种结构器件的内量子效率可达88%。 相似文献
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Zangenberg NR Lundsgaard Hansen J Fage-Pedersen J Nylandsted Larsen A 《Physical review letters》2001,87(12):125901
Diffusion coefficients and activation energies have been determined for Ge diffusion in strain-relaxed Si(1)-(x)Ge(x) with x = 0.00, 0.10, 0.20, 0.30, 0.40, and 0.50. The activation energy drops from 4.7 eV in Si and Si(0.90)Ge(0.10) to 3.2 eV at x = 0.50. This value compares with the literature value for Ge self-diffusion in Ge, suggesting Ge-like diffusion already at x approximately equal to 0.5. The effect of strain on the diffusion was also studied showing a decrease in diffusion coefficient and an increase in activation energy upon going from compressive over relaxed to tensile strain. 相似文献
10.
G. Margaritondo A. Franciosi N.G. Stoffel H.S. Edelman 《Solid State Communications》1980,36(4):297-300
The large discrepancies among the Si L2,3 core-excitonic shifts measured by different techniques can be explained by the recently discovered surface shifts of the Si 2p level. New, accurate photoemission measurements of both the L2,3 edge and of the 2p binding energy with equal surface sensitivity have been performed. Our present results and those of previous experiments are consistent with a single value 0.3-00+0.15 eV for the Si L2,3 core excitonic shift. Preliminary results for the 3d core exciton in Ge give a shift of 0.35 ± 0.25 eV. 相似文献
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Helium ion channeling and backscattering experiments have been performed on MBE-grown Si/Si1−xGex superlattices to investigate interdiffusion, defect densities and tetragonal lattice distortion. Rapid Thermal Annealing (RTA) of these structures leads to substantial interdiffusion and strain relaxation. In some cases also relaxation by dislocation formation is observed after RTA, depending on the alloy composition x. Grazing incidence Rutherford backscattering spectroscopy was employed to observe the modulation of the backscattering yield of the superlattices. The modulation decreases due to interdiffusion after RTA. Interdiffusion coefficients were deduced for Ge concentrations between x=0.20 and x=0.70 in the temperature range between 900°C and 1125°C. The diffusivity increases with larger Ge concentrations. The activation energy for interdiffusion is 3.8 ± 0.2 eV. 相似文献
12.
P.S. Parkinson D. Lim R. Büngener J.G. Ekerdt M.C. Downer 《Applied physics. B, Lasers and optics》1999,68(3):641-648
0.9 Ge0.1(001)/Si(001) films with SH photon energies 3.1<2hν<3.5 eV near the bulk E1 critical point of Si(001) or Si0.9Ge0.1(001). Ge was deposited on Si(001) by using atomic layer epitaxy cycles with GeH4 or Ge2H6 deposition at 410 K followed by hydrogen desorption. As Ge coverage increased from 0 to 2 monolayers the SH signal increased
uniformly by a factor of seven with no detectable shift in the silicon E1 resonant peak position. SH signals from Si0.9Ge0.1(001)/Si(001) were also stronger than those from intrinsic Si(001). Hydrogen termination of the Si0.9Ge0.1(001) and Ge/Si(001) surfaces strongly quenched the SH signals, which is similar to the reported trend on H/Si(001). We attribute
the stronger signals from Ge-containingsurfaces to the stronger SH polarizability of asymmetric Ge-Si and Ge-Ge dimers compared
to Si-Si dimers. Hydrogen termination symmetrizes all dimers, thus quenching the SH polarizability of all of the surfaces
investigated.
Received: 13 October 1998 / Revised version: 18 January 1999 相似文献
13.
I. V. Kucherenko V. S. Vinogradov N. N. Mel’nik L. V. Arapkina V. A. Chapnin K. V. Chizh V. A. Yur’ev 《Physics of the Solid State》2008,50(10):1970-1977
The phonon modes of self-assembled Ge/Si quantum dots grown by molecular-beam epitaxy in an apparatus integrated with a chamber of the scanning tunneling microscope into a single high-vacuum system are investigated using Raman spectroscopy. It is revealed that the Ge-Ge and Si-Ge vibrational modes are considerably enhanced upon excitation of excitons between the valence band Λ3 and the conduction band Λ1 (the E 1 and E 1 + Δ1 transitions). This makes it possible to observe the Raman spectrum of very small amounts of germanium, such as one layer of quantum dots with a germanium layer thickness of ≈10 Å. The enhancement of these modes suggests a strong electron-phonon interaction of the vibrational modes with the E 1 and E 1 + Δ1 excitons in the quantum dot. It is demonstrated that the frequency of the Ge-Ge mode decreases by 10 cm?1 with a decrease in the thickness of the Ge layer from 10 to 6 Å due to the spatial-confinement effect. The optimum thickness of the Ge layer for which the size dispersion of quantum dots is minimum is determined. 相似文献
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B.V. Kamenev J.-M. Baribeau D.J. Lockwood L. Tsybeskov 《Physica E: Low-dimensional Systems and Nanostructures》2005,26(1-4):174
Detailed Raman and photoluminescence (PL) measurements are reported for Si/Si1−xGex nanostructures grown by molecular beam epitaxy under near Stranski–Krastanov (S–K) growth mode conditions. In samples with x ranging from 0.096 to 0.53, we observe that an increase in the Raman signal related to Ge–Ge vibrations correlates with (i) a red shift in the PL peak position, (ii) an increase in the activation energy of PL thermal quenching, and (iii) an increase in the PL quantum efficiency. The results indicate that for x>0.5 Ge atoms form nanometer size clusters with a nearly pure Ge core surrounded by a SiGe shell. Time-resolved PL measurements reveal a stretched-exponential long-lived PL component that is associated with compositional and dimensional fluctuations in the SiGe dots. 相似文献
15.
C2H4 mediations were used to modify the Stranski-Krastanow growth mode of Ge dots on Si(0 0 1) at 550 °C by ultra-high vacuum chemical vapor deposition. With appropriate C2H4-mediation to modify the Si surface, the elongated Ge hut clusters can be transformed to highly uniform Ge domes with a high Ge composition at the core. These C2H4-mediated Ge dots, almost bounded by {1 1 3} facets, have an average diameter and height of 55 and 9 nm, respectively. We propose two major mechanisms to depict the formation of these C2H4-mediated Ge dots: (i) an almost hydrogen-passivated Si surface to limit the nucleation sites for dot formation, and (ii) the incorporation of Ge atoms, repelled by the C-rich areas, into the existing Ge dots. This work provides a useful scheme to tune the topography of Ge dots in an UHV/CVD condition for possible optoelectronic applications. 相似文献
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We have investigated the α → β phase transition in the solid solution GexSi1?x using a diamond anvil cell and the energy dispersive x-ray diffraction technique. The transition pressure pT obtained from samples with x=0, 0.345, 0.543, 0.774, 0.897 and 1 shows a clear nonlinear dependence on the Ge concentration x; pT is always larger than expected on the basis of a linear interpolation between the pT-values of pure Si and Ge. In addition to that we have obtained the volume of the α-phase (diamond structure) and of the β-phase (white- tin structure) at pT. The first one is linear in x, whereas the second one exhibits a nonlinear x-dependence. These results are discussed on the basis of recent pseudopotential calculations by Soma et al. 相似文献
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利用掠入射荧光X射线吸收精细结构(XAFS)方法研究了在400℃的温度下分子束外延生长的Si/Gen/Si(001)异质结薄膜(n=1,2,4和8个原子层)中Ge原子的局域环境结构.结果表明,在1至2个Ge原子层(ML)生长厚度的异质结薄膜中,Ge原子的第一近邻配位主要是Si原子.随着Ge原子层厚度增加到4ML,Ge原子的最近邻配位壳层中的Ge-Ge配位的平均配位数增加到1.3.当Ge原子层厚度增加到8ML时,第一配位壳层中的Ge-Ge配位占的比例只有55%.这表明在400℃的生长条件下,Ge原子有很强的迁移到Si覆盖层的能力.随着Ge层厚度从1 增加到2,4和8ML,Ge原子迁移到Si覆盖层的量由0.5ML分别增加到1.5,2.0和3.0ML.认为在覆盖Si过程中Ge原子的迁移主要是通过产生Ge原子表面偏析来降低表面能和Ge层的应变能.
关键词:
XAFS
n/Si(001)异质膜')" href="#">Si/Gen/Si(001)异质膜
迁移效应 相似文献
18.
Binding energies of Wannier excitons in a quantum well structure consisting of a single slab of GaAs sandwiched between two semi-infinite slabs of Ga1?xAlxAs are calculated using a variational approach. Due to reduction in symmetry along the axis of growth of these quantum well structures and the presence of band discontinuities at the interfaces, the degeneracy of the valence band of GaAs is removed leading to two exciton systems, namely, the heavy hole exciton and the light hole exciton. The variations of the binding energies of these two excitons as a function of the size of the GaAs quantum wells for various values of the heights of the potential barrier are calculated and their behavior is discussed. 相似文献
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采用密度泛函理论中的广义梯度近似(GGA)对Ge(SiO2)n (n = 1—7)团簇的几何构型进行优化,并对能量、频率和电子性质进行了计算。 结果表明,Ge(SiO2)n的最低能量结构是在(SiO2)n端位O原子以及近邻端位O原子的Si原子上吸附一个Ge原子优化得到;随着锗原子数的增加,增加的锗原子易与原来的锗原子形成锗团簇。掺杂锗原子后团簇的能隙比(SiO2)n团簇的能隙小,当多个Ge原子掺杂到(SiO2)3团簇时,其能隙随着Ge原子个数的增加出现了振荡,Gem(SiO2)3的能隙从可见光区到近红外光区变化。二阶能量差分、分裂能表明Ge(SiO2)2和Ge(SiO2)5团簇是稳定的。 相似文献
20.
In this paper,the dispersion relationship is derived by using the k·p method with the help of the perturbation theory,and we obtain the analytical expression in connection with the deformation potential.The calculation of the valence band of the biaxial strained Ge/(001)Si1-xGex is then performed.The results show that the first valence band edge moves up as Ge fraction x decreases,while the second valence band edge moves down.The band structures in the strained Ge/(001)Si 0.4 Ge 0.6 exhibit significant changes with x decreasing in the relaxed Ge along the [0,0,k] and the [k,0,0] directions.Furthermore,we employ a pseudo-potential total energy package(CASTEP) approach to calculate the band structure with the Ge fraction ranging from x = 0.6 to 1.Our analytical results of the splitting energy accord with the CASTEP-extracted results.The quantitative results obtained in this work can provide some theoretical references to the understanding of the strained Ge materials and the conduction channel design related to stress and orientation in the strained Ge pMOSFET. 相似文献