Self-diffusion of (31)Si and (71)Ge in relaxed Si(0.20)Ge(0.80) layers

Self-diffusion of implanted (31)Si and (71)Ge in relaxed Si(0.20)Ge(0.80) layers has been studied in the temperature range 730-950 degrees C by means of a modified radiotracer technique. The temperature dependences of the diffusion coefficients were found to be Arrhenius-type with activation enthalpies of 3.6 eV and 3.5 eV and preexponential factors of 7.5 x 10(-3) m(2) s(-1) and 8.1 x 10(-3) m(2) s(-1) for (31)Si and (71)Ge , respectively. These results suggest that, as in Ge, in Si(0.20)Ge(0.80) both (31)Si and (71)Ge diffuse via a vacancy mechanism. Since in Si(0.20)Ge(0.80) (71)Ge diffuses only slightly faster than (31)Si , in self-diffusion studies on Si-Ge (71)Ge radioisotopes may be used as substitutes for the "uncomfortably" short-lived (31)Si radiotracer atoms.     

Comparison of Si and Ge low-loss spectra to interpret the Ge contrast in EFTEM images of Si(1-x) Ge(x) nanostructures

Recently, an EFTEM imaging method, exploiting the inelastically scattered electrons in the 60-90eV energy range, was proposed to visualise Ge in SiGe alloys [Pantel, R., Jullian, S., Delille, D., Dutartre, D., Chantre, A., Kermarrec, O., Campidelli, Y., Kwakman, L.F.T.Z., 2003. Inelastic electron scattering observation using Energy Filtered Transmission Electron Microscopy for silicon-germanium nanostructures imaging. Micron 34, 239-247]. This method was proven to be highly more efficient in terms of noise, drift and exposure time than the imaging of the weak and delayed ionization GeL2,3 edge at 1236eV. However, the physical phenomenon behind this Ge contrast was not clearly identified. In this work, we explain the origin of this Ge contrast, by comparing in details EELS low-loss spectra (<100eV) recorded from pure Si and Ge crystals. High resolved low-loss experiments are performed using analytical Field Emission Gun Transmission Electron Microscopes fitted or not with a monochromator. Low-loss spectra (LLS) are then deconvoluted from elastic/quasi-elastic and plural scattering effects. The deconvolution procedure is established from Si spectra recorded with the monochromated machine. The absence of second plasmon and the measurement of a band gap (1.12eV) on the Si single scattering distribution (SSD) spectrum allowed us to control the accuracy of the deconvolution procedure at high and low energy and to state that it could be reliably applied to Ge spectra. We show that the Ge-M4,5 ionisation edge located at 29eV, which is shadowed by the high second plasmon in the unprocessed Ge spectrum, can be clearly separated in the single scattering spectrum. We also show that the front edge of Ge-M4,5 is rather sharp which generates a high intensity post edge tail on several tens of eV. Due to this tail, the Si and Ge EELS signals in the 60 to 100eV energy window are very different and the monitoring of this signal gives information about the Ge concentration inside SiGe alloys. It is now evident that the EFTEM imaging technique proposed to quantify Ge (90eV/60eV image ratio) in Si-Ge nanostructures is valid and is a relevant way of exploiting the Ge-M4-5 ionisation edge.     

Room temperature oxidation of Cu(3)Ge films grown on Si and Si(1-x)Ge(x) substrates

Room temperature oxidation of Cu3Ge films grown on Si, Si(0.85)Ge(0.15) and Si(0.52)Ge(0.48) substrates, respectively, at a temperature of 200-300 degrees C was studied using transmission electron microscopy (TEM) in conjunction with energy dispersive spectrometry (EDS) and scanning electron microscopy (SEM). For Cu(3)Ge films grown at 200 degrees C and subsequently exposed in air for 1 week oxide protrusions and oxide networks appeared in the film surface and grain boundaries of Cu(3)Ge, respectively. At room temperature O from air and Si from the substrate, diffused along the grain boundaries of Cu(3)Ge to react with Cu(3)Ge grains, initiating the Cu(3)Si-catalyzed oxidation. Cu(3)Ge films are superior to Cu(3)(Si(1-x)Gex) films in retarding Cu(3)Si-catalyzed oxidation. Annealing at 300 degrees C allowed Si diffusion from the substrate into the Cu(3)Ge overlayer to form Cu(3)(Si(1-x)Gex), enhancing the Cu(3)Si-catalyzed oxidation rate. In the present study, Cu(3)Ge films grown on Si(0.52)Ge(0.48) at 200 degrees C show the best resistance to room temperature oxidation because higher Ge concentration in the substrate and lower temperature annealing can more effectively retard Si diffusion from the substrate into the Cu(3)Ge overlayer, and hence reduce the Cu(3)Si-catalyzed oxidation rate.     

Disproportionation phenomena on free and strained Sn/Ge(111) and Sn/Si(111) surfaces

Distortions of the sqrt[3]x sqrt[3] Sn/Ge(111) and Sn/Si(111) surfaces are shown to reflect a disproportionation of an integer pseudocharge, Q, related to the surface band occupancy. A novel understanding of the (3 x 3)-1U ("1 up, 2 down") and 2U ("2 up, 1 down") distortions of Sn/Ge(111) is obtained by a theoretical study of the phase diagram under strain. Positive strain keeps the unstrained value Q=3 but removes distortions. Negative strain attracts pseudocharge from the valence band causing first a (3 x 3)-2U distortion (Q=4) on both Sn/Ge and Sn/Si, and eventually a (sqrt[3] x sqrt[3])-3U ("all up") state with Q=6. The possibility of a fluctuating phase in unstrained Sn/Si(111) is discussed.     

Formation of Ge islands from a Ge layer on Si substrate during post-growth annealing

We have deposited a 12 nm thick Ge layer on Si(1 0 0) held at 200 °C by thermal evaporation under high vacuum conditions. Upon subsequent thermal annealing in vacuum, self-assembled growth of nanostructural Ge islands on the Ge layer occurred. Atomic force microscopy (AFM) and grazing incidence small-angle X-ray scattering (GISAXS) were used to characterize such layers. GISAXS measurements evidenced the formation of cylinder shaped structures upon annealing at 700 °C, which was confirmed by AFM measurements with a very sharp tip. A Ge mass transport from the layer to the islands was inferred by X-ray reflectivity and an activation energy of 0.40 ± 0.10 eV for such a process was calculated.     

Interplay between crystal field splitting and Kondo effect in CeNi(9)Ge(4-x)Si(x)

The pseudo-ternary solid solution CeNi(9)Ge(4-x)Si(x) (0?≤?x?≤?4) has been investigated by means of x-ray diffraction, magnetic susceptibility, specific heat, electrical resistivity, thermopower and inelastic neutron scattering studies. The isoelectronic substitution of germanium by silicon atoms causes a dramatic change of the relative strength of competing Kondo, RKKY and crystal field (CF) energy scales. The strongest effect is the continuous elevation of the Kondo temperature T(K) from approximately 3.5?K for CeNi(9)Ge(4) to about 70?K for CeNi(9)Si(4). This increase of the Kondo temperature is attended by a change of the CF level scheme of the Ce ions. The interplay of the different energy scales results in an incipient reduction of the ground state degeneracy from an effectively fourfold degenerate non-magnetic Kondo ground state with unusual non-Fermi-liquid features of CeNi(9)Ge(4) to a lower one, followed by an increase towards a sixfold, fully degenerate ground state multiplet in CeNi(9)Si(4) (T(K)?～?Δ(CF)).     

Surfactants: Perfect heteroepitaxy of Ge on Si(111)

The hetero growth of Ge on Si results in formation of 3D clusters with an uncontrolled defect structure. Introduction of a monolayer of a surfactant completely changes the growth mode to a 2D-layer growth (Frankvan der Merwe) with a continuous and smooth Ge film on Si(111). The surfactant is not incorporated but segregates and floates on the growing Ge film. The saturation of the dangling bonds of the semiconductor reduces the surface free energy and drives the strong segregation. The effect on the growth process is the selective change of activation energies which are important for diffusion and the mobility of the Ge. Up to a thickness of 8 MLs (MonoLayers) the misfit-related strain of the pseudomorphic Ge film is relaxed by formation of a micro rough surface. This allows a partial relaxation of the Ge towards its bulk lattice constant which would not be possible for a flat and continuous film. For thicker Ge films the misfit of 4.2% is relieved by a periodic dislocation network, which is confined to the Si-Ge interface. Ge-films thicker than 20 MLs are free of defects and completely relaxed to the Ge bulk lattice constant: a model system for perfect heteroepitaxial growth.     

Energetics of Ge nucleation on SiO2 and implications for selective epitaxial growth

We have measured the time evolution of Ge nucleation density on SiO₂ over a temperature range of 673–973 K and deposition rates from 5.1 × 10¹³ atoms/cm² s (5 ML/min) to 6.9 × 10¹⁴ atoms/cm² s (65 ML/min) during molecular beam epitaxy. The governing equations from mean-field theory that describe surface energetics and saturation nucleation density are used to determine the size and binding energy of the critical Ge nucleus and the activation energy for Ge surface diffusion on SiO₂. The critical nucleus size is found to be a single Ge atom over substrate temperatures from 673 to 773 K, whereas a three-atom nucleus is found to be the critical size over substrate temperatures from 773 to 973 K. We have previously reported 0.44 ± 0.03 eV for the Ge desorption activation energy from SiO₂. This value, in conjunction with the saturation nucleation density as a function of substrate temperature, is used to determine that the activation energy for surface diffusion is 0.24 ± 0.05 eV, and the binding energy of the three-atom nucleus is 3.7 ± 0.1 eV. The values of the activation energy for desorption and surface diffusion are in good agreement with previous experiments of metals and semiconductors on insulating substrates. The small desorption and surface diffusion activation barriers predict that selective growth occurring on window-patterned samples is by direct impingement of Ge onto Si and ready desorption of Ge from SiO₂. This prediction is confirmed by the small integral condensation coefficient for Ge on SiO₂ and two key observations of nucleation behavior on the window-patterned samples. The first observation is the lack of nucleation exclusion zones around the windows, and second is the independence of the random Ge nucleation density on patterned versus unpatterned oxide surfaces. We also present the Ge nucleation density as a function of substrate temperature and deposition rate to demarcate selective growth conditions for Ge on Si with a window-patterned SiO₂ mask.     

Surface dangling-bond States and band lineups in hydrogen-terminated Si, Ge, and Ge/si nanowires

We report an ab initio study of the electronic properties of surface dangling-bond (SDB) states in hydrogen-terminated Si and Ge nanowires with diameters between 1 and 2 nm, Ge/Si nanowire heterostructures, and Si and Ge (111) surfaces. We find that the charge transition levels epsilon(+/-) of SDB states behave as a common energy reference among Si and Ge wires and Si/Ge heterostructures, at 4.3+/-0.1 eV below the vacuum level. Calculations of epsilon(+/-) for isolated atoms indicate that this nearly constant value is a periodic-table atomic property.     

First-principles calculation of alloy scattering in Ge(x)Si(1-x)

First-principles electronic structure methods are used to find the rates of intravalley and intervalley n-type carrier scattering due to alloy disorder in Si(1-x)Ge(x) alloys. The required alloy scattering matrix elements are calculated from the energy splitting of nearly degenerate Bloch states which arises when one average host atom is replaced by a Ge or Si atom in supercells containing up to 128 atoms. Scattering parameters for all relevant Delta and L intravalley and intervalley alloy scattering are calculated. Atomic relaxation is found to have a substantial effect on the scattering parameters. f-type intervalley scattering between Delta valleys is found to be comparable to other scattering channels. The n-type carrier mobility, calculated from the scattering rate using the Boltzmann transport equation in the relaxation time approximation, is in excellent agreement with experiments on bulk, unstrained alloys.     

Regrowth kinetics of amorphous Ge layers created by 74Ge and 28Si implantation of Ge crystals

Epitaxial regrowth of ion-implanted amorphous Ge on the underlying crystal substrate occurs between 300 to 400°C with an activation energy of 2.0 eV and a rate of 100Å/min on <100> Ge at 350°C. The regrowth rate is strongly dependent on the orientation of the underlying Ge crystal. The regrowth behavior of amorphous Ge is similar to that of implanted amorphous Si.     

Diffusion of Ge below the Si(100) surface: theory and experiment

We have studied diffusion of Ge into subsurface layers of Si(100). Auger electron diffraction measurements show Ge in the fourth layer after submonolayer growth at temperatures as low as 500 degrees C. Density functional theory predictions of equilibrium Ge subsurface distributions are consistent with the measurements. We identify a surprisingly low energy pathway resulting from low interstitial formation energy in the third and fourth layers. Doping significantly affects the formation energy, suggesting that n-type doping may lead to sharper Si/Ge interfaces.     

Ab-initio study of structural,elastic, thermal,electronic and magnetic properties of quaternary Heusler alloys CoMnCrZ (Z = Al,As, Si,Ge)

First-principles approach is used to study the structural, electronic and magneticproperties of CoMnCrZ (Z = Al,Si, Ge and As) quaternary Heusler compounds, using full-potential linearized augmentedplane wave (FP-LAPW) scheme within the generalized gradient approximation (GGA). Thecomputed equilibrium lattice parameters agree well with the available theoretical data.The obtained negative formation energy shows that CoMnCrZ (Z = Al, Si, Ge, As) compounds have strongstructural stability. The elastic constants C _ij are calculatedusing the total energy variation with strain technique. The polycrystalline elastic moduli(namely: the shear modulus, Young’s modulus, Poisson’s ratio, sound velocities, Debyetemperature and melting temperature were derived from the obtained single-crystal elasticconstants. The ductility mechanism for the studied compounds is discussed via the elasticconstants C _ij . Our calculationswith the GGA approximation predict that CoMnCrGe, CoMnCrAl, CoMnCrSi and CoMnCrAs arehalf-metallic ferrimagnets (HMFs) with a half-metallic gap E _HM of 0.03 eV, 0.19 eV,0.34 eV and 0.50 eV for, respectively. We also find that the half-metallicity ismaintained on a wide range of lattice constants.     

Origin of the stability of Ge(105) on si: a new structure model and surface strain relaxation

The structure of Ge(105)-(1 x 2) grown on Si(105) is examined by scanning tunneling microscopy (STM) and first-principles calculations. The morphology evolution with an increasing amount of Ge deposited documents the existence of a tensile surface strain in Si(105) and its relaxation with increasing coverage of Ge. A detailed analysis of high-resolution STM images and first-principles calculations produce a new stable model for the Ge(105)-(1 x 2) structure formed on the Si(105) surface that includes the existence of surface strain. It corrects the model developed from early observations of the facets of "hut" clusters grown on Si(001).     

First-order transition from a Kondo insulator to a ferromagnetic metal in single crystalline FeSi(1-x)Ge(x)

The phase diagram of FeSi(1-x)Ge(x), obtained from magnetic, thermal, and transport measurements on single crystals, shows a discontinuous transition from Kondo insulator to ferromagnetic metal with x at a critical concentration, x(c) approximately 0.25. The gap of the insulating phase strongly decreases with x. The specific heat gamma coefficient appears to track the density of states of a Kondo insulator. The phase diagram is consistent with an insulator-metal transition induced by a reduction of the hybridization with x in conjunction with disorder on the Si/Ge ligand site.     

Magnetic excitations in EuCu(2)(Si(x)Ge(1-x))(2): from mixed valence towards magnetism

We report the inelastic neutron scattering study of spin dynamics in EuCu(2)(Si(x)Ge(1-x))(2) (x?=?1, 0.9, 0.75, 0.6), performed in a wide temperature range. At x?=?1 the magnetic excitation spectrum was found to be represented by the double-peak structure well below the energy range of the Eu(3+) spin-orbit (SO) excitation (7)F(0)→(7)F(1), so that at least the high-energy spectral component can be assigned to the renormalized SO transition. Change of the Eu valence towards 2?+ with increased temperature and/or Ge concentration results in further renormalization (lowering the energy) and gradual suppression of both inelastic peaks in the spectrum, along with developing sizeable quasielastic signal. The origin of the spectral structure and its evolution is discussed in terms of excitonic model for the mixed valence state.     

Ge在Ru(0001)表面上生长及其性质研究

报道Ge在Ru(0001)表面上生长以及相互作用行为的扫描隧道显微镜（STM）和x射线光电子能谱（XPS）研究. STM的实验结果表明Ge在Ru(0001)表面的生长呈典型的Stranski_Krastanov生长模式，Ge的覆盖度小于单原子层时呈层状生长，而从第二层开始呈岛状生长. XPS测量显示衬底Ru(0001)与Ge的相互作用很弱. Ru(0001)表面的Ru 3d5/2和Ru 3d3/2芯态结合能分别处于2798和2840 eV. 随着Ge的生长，到Ge层的厚度为20个单原子层，衬底Ru 3d芯态结合能减小了约02 eV，而Ge 3d芯态结合能从Ge低覆盖度时的289 eV增加到了290 eV，其相对位移约为01 eV. 关键词： Ge Ru表面 生长 相互作用     

Luminescence study of Si/Ge quantum dots

We present a photoluminescence (PL) study of Ge quantum dots embedded in Si. Two different types of recombination processes related to the Ge quantum dots are observed in temperature-dependent PL measurements. The Ge dot-related luminescence peak near 0.80 eV is ascribed to the spatially indirect recombination in the type-II band lineup, while a high-energy peak near 0.85 eV has its origin in the spatially direct recombination. A transition from the spatially indirect to the spatially direct recombination is observed as the temperature is increased. The PL dependence of the excitation power shows an upshift of the Ge quantum dot emission energy with increasing excitation power density. The blueshift is ascribed to band bending at the type-II Si/Ge interface at high carrier densities. Comparison is made with results derived from measurements on uncapped samples. For these uncapped samples, no energy shifts due to excitation power or temperatures are observed in contrast to the capped samples.     

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.