Since many years, the contribution of vacancies (V) and self-interstitials (I) to silicon (Si) self-diffusion is a matter of debate. Native defects and their interaction among themselves and with foreign atoms influence the processes taking place during device fabrication, starting with the growth of Si single crystals and ending with doping of nanosized electronic devices. Considering this relevance, it is remarkable that present data about the properties of native point defects in Si are still limited and controversial. This work reports experiments on self-diffusion in Si for temperatures between 650 • C and 960 • C to verify recent results of Shimizu et al. [Phys. Rev. Lett. 98, 095901 (2007)] that give rise to inconsistencies in V-mediated self-and dopant diffusion. Two different structures of isotopically controlled epitaxial layers of Si are used for the diffusion study. One structure consisting of 20 bilayers of 29 Si/ 28 Si was grown by molecular beam epitaxy (MBE). The other structure with a 28 Si layer sandwiched between natural Si was grown by means of chemical vapor deposition. Self-diffusion in (29 Si/ 28 Si) 20 multilayers (ML) was analyzed by means of secondary ion mass spectrometry (SIMS) and neutron reflectometry, whereas self-diffusion in nat Si/ 28 Si/ nat Si sandwich (SW) structures was measured with SIMS only. Analysis of the experimental profiles reveals an enhanced self-diffusion in ML compared to SW structures. The enhanced diffusion is ascribed to the dissolution of V-and I-related defect clusters grown-in during MBE. On the other hand, self-diffusion in the SW structures accurately confirms the data of Shimizu et al. that are considered to represent data for thermal equilibrium conditions. The temperature dependence of self-diffusion is described by V-and I-mediated contributions with temperature-dependent thermodynamic properties of V. This interpretation can solve the inconsistency between self-and dopant diffusion in Si, but further experiments are required to verify this concept.

Diffusion experiments with indium ͑In͒ in germanium ͑Ge͒ were performed in the temperature range between 550 and 900°C. Intrinsic and extrinsic doping levels were achieved by utilizing various implantation doses. Indium concentration profiles were recorded by means of secondary ion mass spectrometry and spreading resistance profiling. The observed concentration independent diffusion profiles are accurately described based on the vacancy mechanism with a singly negatively charged mobile In-vacancy complex. In accord with the experiment, the diffusion model predicts an effective In diffusion coefficient under extrinsic conditions that is a factor of 2 higher than under intrinsic conditions. The temperature dependence of intrinsic In diffusion yields an activation enthalpy of 3.51 eV and confirms earlier results of Dorner et al. ͓Z. Metallk. 73, 325 ͑1982͔͒. The value clearly exceeds the activation enthalpy of Ge self-diffusion and indicates that the attractive interaction between In and a vacancy does not extend to third nearest neighbor sites which confirms recent theoretical calculations. At low temperatures and high doping levels, the In profiles show an extended tail that could reflect an enhanced diffusion at the beginning of the annealing.

Diffusion of silicon (Si) and germanium (Ge) in silicon-germanium Si1−xGex-isotope heterostructures with Ge contents x=0, 0.05, 0.25, 0.45, and 0.70 was investigated in a temperature range between 690 and 1270 °C. The concentration profiles of the stable Si-isotopes and Ge-isotopes were recorded by means of time-of-flight secondary ion mass spectrometry. Analysis of the experimental profiles shows that the Si and Ge diffusion coefficients in elemental Si agree within experimental accuracy. However with increasing Ge content the diffusion of Ge gets increasingly faster compared to that of Si. An Arrhenius type temperature dependence of diffusion is observed for all compositions with slightly lower values for the activation enthalpy of Ge compared to Si. The more pronounced Ge diffusion indicates that with increasing Ge concentration the diffusional jumps of Ge atoms become more successful compared to those of Si. This trend is explained with an increasing contribution of vacancies to self-diffusion in Si1−xGex with x. In contrast to earlier results the composition dependence of the activation enthalpy of self-diffusion reveals an upward bowing. A similar composition dependence is reported for the arsenic (As) and antimony (Sb) diffusion in SiGe and is predicted theoretically for the stability of phosphorus-vacancy and arsenic-vacancy pairs in SiGe. The nonlinear behavior seems to be a general trend and accordingly mainly a consequence of the SiGe alloy system.

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Gallium (Ga) implantation induced self-atom mixing in crystalline and amorphous germanium (Ge) is investigated utilizing isotopically controlled Ge multilayer structures grown by molecular beam epitaxy. The distribution of the Ga ions and the ion-beam induced depth-dependent mixing of the isotope structure was determined by means of secondary ion mass spectrometry. Whereas the distribution of Ga in the crystalline and amorphous Ge is very similar and accurately reproduced by computer simulations based on binary collision approximation (BCA), the ion-beam induced self-atom mixing is found to depend strongly on the state of the Ge structure. The experiments reveal stronger self-atom mixing in crystalline than in amorphous Ge. Atomistic simulations based on BCA reproduce the experimental results only when unphysically low Ge displacement energies are assumed. Analysis of the self-atom mixing induced by silicon implantation confirms the low displacement energy deduced within the BCA approach. This demonstrates that thermal spike mixing contributes significantly to the overall mixing of the Ge isotope structures. The disparity observed in the ion-beam mixing efficiency of crystalline and amorphous Ge indicates different dominant mixing mechanisms. We propose that self-atom mixing in crystalline Ge is mainly controlled by radiation enhanced diffusion during the early stage of mixing before the crystalline structure turns amorphous, whereas in an already amorphous state self-atom mixing is mediated by cooperative diffusion events.

The contributions of vacancies and self-interstitials to silicon (Si) self-diffusion are a matter of debate since many years. These native defects are involved in dopant diffusion and the formation of defect clusters and thus influence many processes that take place during Si single crystal growth and the fabrication of silicon based electronic devices. Considering their relevance it is remarkable that present data about the properties of native point defects in Si are still limited and controversy. This work reports recent results on the properties of native point defects in silicon deduced from self-diffusion experiments below 850°C. The temperature dependence of silicon self-diffusion is accurately described by contributions due to vacancies and self-interstitials assuming temperature dependent vacancy properties. The concept of vacancies whose thermodynamic properties change with temperature solves the inconsistency between self-and dopant diffusion in Si but further experiments are required to verify this concept and to prove its relevance for other material systems.