硅(001)图形衬底上锗硅纳米线的定位生长

纳米线的定位生长是实现纳米线量子器件寻址和集成的前提.结合自上而下的纳米加工和自下而上的自组装技术,通过分子束外延生长方法,在具有周期性凹槽结构的硅(001)图形衬底上首先低温生长硅锗薄膜然后升温退火,实现了有序锗硅纳米线在凹槽中的定位生长,锗硅纳米线的表面晶面为(105)晶面.详细研究了退火温度、硅锗的比例及图形周期对纳米线形成与否,以及纳米线尺寸的影响.     

Si/Gen/Si(001)异质结薄膜的掠入射荧光X射线吸收精细结构研究

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/Ge_n/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/Ge_n/Si(001)异质膜 迁移效应     

Surface mobility difference between Si and Ge and its effect on growth of SiGe alloy films and islands

Based on first-principles calculations of surface diffusion barriers, we show that on a compressive Ge(001) surface the diffusivity of Ge is 10(2)-10(3) times higher than that of Si in the temperature range of 300 to 900 K, while on a tensile surface, the two diffusivities are comparable. Consequently, the growth of a compressive SiGe film is rather different from that of a tensile film. The diffusion disparity between Si and Ge is also greatly enhanced on the strained Ge islands compared to that on the Ge wetting layer on Si(001), explaining the experimental observation of Si enrichment in the wetting layer relative to that in the islands.     

Monte carlo simulation of transitions related to growth on (001) faces of Si and Ge

Based on Monte Carlo simulations for molecular beam epitaxy, three types of growth related transitions on the Si(001) and Ge(001) surfaces have been studied. In the thermal roughening simulations on a Ge(001) surface, a different type of transition from the Kosterlitz and Thouless type is obtained. The simulated result is consistent with the experimental x-ray diffraction data, at least qualitatively. In the growth simulations, a transition in the shape of growing islands is shown at the very initial stage of the homoepitaxial growth on a Si(001)-2x1 flat surface. During the transition, the step density variations as a function time show different behaviors at various temperatures. In the homoepitaxial growth on Si(001)-2x1 vicinal surfaces, the growth mode transition from two-dimensional island formation to the step-flow mode is reproduced by increasing the system temperature, which agrees qualitatively with the observed results. At the intermediate temperature, a transient growth mode is obtained, in which the two-dimensional island formation and the step flow growth modes coexist on two types of terraces on the surface.     

Morphological and compositional evolution of the ge/si(001) surface during exposure to a si flux

By using scanning tunneling microscopy we found that the surface reconstruction of Ge/Si(001) epilayers evolves from (M x N) to (2 x N), and eventually to (2 x 1), during exposure to a Si flux. This sequence appears to be just the inverse of that observed during the growth of Ge or SiGe alloys on Si(001). However, molecular dynamics simulations supported by ab initio calculations allow us to interpret this morphological evolution in terms of Si migration through the epilayer and complex Si-Ge intermixing below the top Ge layer.     

Low-energy photoluminescence of structures with GeSi/Si(001) self-assembled nanoislands

The photoluminescence spectra of structures with self-assembled GeSi/Si(001) islands are investigated as functions of the growth temperature. It is shown that the shift of the peak of photoluminescence from islands toward lower energies on decreasing the growth temperature is due to the suppression of Si diffusion into islands and an increase in the fraction of Ge in islands. A photoluminescence signal from the GeSi islands is found in the region of energies down to 0.6 eV, which is considerably smaller than the band-gap width in bulk Ge. The position of the peak of photoluminescence from islands is described well by the model of a real-space indirect optical transition with account of the real composition and elastic strains of the islands. Mono-and multilayer structures are obtained with self-assembled GeSi/Si(001) nanoislands exhibiting a photoluminescence signal in the region 1.3–2 μm at room temperature.     

Adsorption of Au and Pt dimers on Ge(001) and Si(001): A first-principles study

Based on first-principles total energy calculations, the adsorption of Au and Pt dimers on Ge(001) and Si(001) surfaces are investigated. We find that the Au dimer on both Ge(001) and Si(001) show a similar result with the most stable configuration C, parallel to the substrate dimer row and located in the trough between the dimer rows, and the most unstable configuration A, parallel to and on the top of the substrate dimer row. On the other hand, Pt dimer on Ge(001) prefer the configuration D, perpendicular to the substrate dimer row and located in the trough between the dimer rows, while Pt dimer on Si(001) prefer both A and D configurations. The different structural stabilities of Au and Pt dimers on Ge(001) and Si(001) surfaces are attributed to the different electronic structures of Au and Pt atoms. These results are discussed with the reported data for III, IV and V group elements on Si(001).     

Alloying mechanisms for epitaxial nanocrystals

The different mechanisms involved in the alloying of epitaxial nanocrystals are reported in this Letter. Intermixing during growth, surface diffusion, and intraisland diffusion were investigated by varying the growth conditions and annealing environments during chemical vapor deposition. The relative importance of each mechanism was evaluated in determining a particular composition profile for dome-shaped Ge:Si (001) islands. For samples grown at a faster rate, intermixing during growth was reduced. Si surface diffusion dominates during H2 annealing, whereas Ge surface diffusion and intraisland diffusion prevail during annealing in a PH3 environment.     

Theory of adsorption: Ordered monolayers from Na to Cl on Si(001) and Ge(001)

First principles calculations of clean and adsorbate-covered surfaces of Si(001) and Ge(001) are reported. Chemical trends in the adsorption of ordered Na, K, Ge, As, Sb, S, Se and Cl overlayers are discussed. The calculations are based on the local-density approximation and employ non-local, norm-conserving pseudopotentials together with Gaussian orbital basis sets. The semi-infinite geometry of the substrate is properly taken into account by employing our scattering theoretical method. From total-energy minimization calculations we obtain optimal surface reconstructions which show asymmetric dimers for Si(001), Ge(001) and Ge:Si(001). For As:Si(001), Sb:Si(001) and Sb:Ge(001), we find symmetric adatom dimers in the equilibrium geometries. S or Se adlayers are found to be adsorbed in bridge positions forming a (1×1) unit cell with a geometry very close to the configuration of a terminated bulk lattice. Cl atoms adsorb on top of the dangling bonds of symmetric Si dimers residing in the first substrate-surface layer. Our calculations for Na:Si(001) and K:Si(001) confirm valley-bridge site adsorption for half monolayer coverage. For full monolayer alkali-metal coverage, adsorption in pedestal and valley-bridge positions is found to be energetically most favourable. The calculated optimal adsorption configurations are in excellent agreement with a whole body of recent experimental data on surface-structure determination. For these structural models, we obtain electronic surface band structures which agree very good with a wealth of data from angle-resolved photoemission spectroscopy investigations.     

Towards quantitative understanding of formation and stability of Ge hut islands on Si(001)

We analyze Ge hut island formation on Si(001), using first-principles calculations of energies, stresses, and their strain dependence of Ge/Si(105) and Ge/Si(001) surfaces combined with continuum modeling. We give a quantitative assessment on strain stabilization of Ge(105) facets, estimate the critical size for hut nucleation or formation, and evaluate the magnitude of surface stress discontinuity at the island's edge and its effect on island stability.     

Surface kinetics driven annealing and phase segregation in non-equilibrium crystal growth

We simulate the epitaxial growth and annealing of Ge_xSi_1−x alloys on a Si(001) substrate using a stochastic Monte Carlo technique. Initiation of phase segregation into Si(001) and Ge(001) layers is obtained in our simulation. This results from the kinetically more active nature of Ge atoms as compared to Si atoms, together with an effect arising from the compressive strain in the alloy layers. We discuss our results in the light of the existing experimental data.     

Surface segregation of Ge at SiGe(001) by concerted exchange pathways

The segregation of Ge during growth on SiGe(001) surfaces was investigated by ab initio calculations. Four processes involving adatoms rather than ad-dimers were considered. The two most efficient channels proceed by the concerted exchange mechanism and involve a swap between an incorporated Ge and a Si adatom, or between Si and Ge in the first and the second surface layers, respectively. The calculated activation energies of approximately 1.5 eV explain well the high-temperature experimental data. Segregation mechanisms involving step edges are much less efficient.     

Perfect alignment of self-organized Ge islands on pre-grown Si stripe mesas

Self-organized Ge islands grown on patterned Si(001) substrates have been investigated. Selective epitaxial growth (SEG) of Si is carried out with gas-source molecular beam epitaxy to form Si stripe mesas followed by subsequent Ge island growth. Self-aligned Ge islands with regular spacing are formed on the <110>-oriented ridges of the Si mesas. The regular spacing is driven by the repulsive interaction between the neighbor islands through the substrates. A mono-modal distribution of the islands has been observed on the ridges of the Si mesas. The spatial confinement as well as the preferential nucleation is believed to be the mechanism of this alignment of the self-organized Ge islands. Received: 16 July 1999 / Accepted: 6 August 1999 / Published online: 24 March 2000     

Genetic-algorithm discovery of a direct-gap and optically allowed superstructure from indirect-gap Si and Ge semiconductors

Combining two indirect-gap materials-with different electronic and optical gaps-to create a direct gap material represents an ongoing theoretical challenge with potentially rewarding practical implications, such as optoelectronics integration on a single wafer. We provide an unexpected solution to this classic problem, by spatially melding two indirect-gap materials (Si and Ge) into one strongly dipole-allowed direct-gap material. We leverage a combination of genetic algorithms with a pseudopotential Hamiltonian to search through the astronomic number of variants of Si(n)/Ge(m)/…/Si(p)/Ge(q) superstructures grown on (001) Si(1-x)Ge(x). The search reveals a robust configurational motif-SiGe(2)Si(2)Ge(2)SiGe(n) on (001) Si(x)Ge(1-x) substrate (x≤0.4) presenting a direct and dipole-allowed gap resulting from an enhanced Γ-X coupling at the band edges.     

X射线衍射研究表面活化剂对异质外延薄层Ge结构的影响

利用原位的反射式高能电子衍射和非原位的X射线衍射技术，研究了活化剂Sb对于Ge在Si上外延过程的影响．当没有活化剂、Ge层厚度为6nm时，外延Ge层形成岛状，应力完全释放．当有Sb时、Ge在Si上的生长是二维的，并且应力释放是缓慢的，即使Ge外延层厚为6nm，仍有42%的应变没有弛豫． 关键词：     

Infrared spectroscopy of intraband transitions in Ge/Si quantum dot superlattices

We report the study of infrared spectroscopy of intraband transitions in Ge/Si quantum dot superlattices. The superlattices, which were grown on (001) oriented Si substrates by a solid source molecular beam epitaxy system, are composed mainly of 20 or 30 periods of Ge dot layers and Si spacer films. The structural properties of them and of the uncapped Ge dots grown on the surfaces of some of them were tested by cross-sectional transmission electron and atomic force microscopes, respectively. It is found that the Ge quantum dots have flat lens-like shapes. Infrared absorption signals peaking in the mid-infrared range were observed using Fourier transform infrared and Raman scattering spectroscopy techniques. Experimental and theoretical analysis suggests that the mid-infrared response be attributed to intraband transitions within the valence band of the Ge quantum dots in the superlattices. The fact that the intraband absorption is strongly polarized along the growth axis of the superlattices signifies that the Ge quantum dots with flat lens-like shapes perform as Ge/Si-based quantum wells. This study demonstrates the application potential of these kinds of Ge/Si quantum dot superlattices for developing mid-infrared photodetectors.     

Subsurface strain in the Ge(001) and Ge(111) surfaces and comparison to silicon

The subsurface strain associated with surface reconstruction was measured for the Ge(001)-c(4×2) and Ge(111)-c(2×8) surfaces using high energy ion scattering. In the case of the Ge(001) surface we find the equivalent of ∼3 monolayers displaced by more than 0.12 Å, in accord with dimer models of the surface reconstruction. For the Ge(111) surface displacements are observed in off-normal incidence, indicating large displacements perpendicular to the surface or other reconstructions, such as a stacking fault configuration. The relationship between subsurface strain and stacking fault models is also discussed. The subsurface strain in these two Ge surfaces is remarkably similar to that of the corresponding Si surfaces, even though the details of the surface reconstruction are different. Measurements at low temperature indicate that the strain is essentially temperature independent, as expected. Measurements of the hydrogen covered surfaces show little change is strain, a surprising result when compared to the behavior of Si(001).     

Preferential ordering of self-assembled Ge islands on focused ion-beam patterned Si(100)

We report the growth of Ge islands on Si (001) substrates with lithographically defined two-dimensionally periodic pits using focused ion-beam patterning and molecular beam epitaxy. The formation of circularly ordered Ge islands has been achieved by means of nonuniform strain field around the periphery of the holes due to ion bombardment. Lateral ordering of the Ge islands have been controlled by both the pit size and pit separation. Preferential growth at the pit sites has also been achieved by using appropriate pattern shape and size.     

Intrinsic stress of ultrathin epitaxial films

The present article focuses on the stress developing during the deposition of ultrathin epitaxial films in the thickness range of a few atomic layers. The studied systems exhibit the three well-known modes of film growth: Stranski–Krastanow mode [Ge/Si(001), Ge/Si(111), Ag/Si(111)], Frank–Van der Merwe mode [Fe/MgO(001)] and Volmer–Weber mode [Ag/mica(001), Cu/mica(001)]. The experimental results demonstrate the important role of the misfit strain as well as the contribution of surface stress effects as mechanisms for the stress in single atomic layers. Received: 26 April 1999 / Accepted: 25 June 1999 / Published online: 6 October 1999     

Effect of strain on the appearance of subcritical nuclei of ge nanohuts on Si(001)

Real-time scanning tunneling microscopy observations of nucleation and heteroepitaxial growth of Ge nanocrystals (from germane) on Si(001) indicate that in the absence of Si-Ge intermixing the formation of full hut cluster islands is preceded by the nucleation of "subcritical" nuclei consisting of two adjacent truncated tetrahedral pyramids, which, upon unification, form a tiny square-based pyramidal "critical nucleus" It is suggested that such a precursor aids in surpassing the nucleation barrier and that the recently reported gradual faceting of prepyramids is characteristic of only Ge(Si) alloys.