富田 基裕

We provide the parameters of Stillinger-Weber potentials for GeSiSn ternary mixed systems. These parameters can be used in molecular dynamics (MD) simulations to reproduce phonon properties and thermal conductivities. The phonon dispersion relation is derived from the dynamical structure factor, which is calculated by the space-time Fourier transform of atomic trajectories in an MD simulation. The phonon properties and thermal conductivities of GeSiSn ternary crystals calculated using these parameters mostly reproduced both the findings of previous experiments and earlier calculations made using MD simulations. The atomic composition dependence of these properties in GeSiSn ternary crystals obtained by previous studies (both experimental and theoretical) and the calculated data were almost exactly reproduced by our proposed parameters. Moreover, the results of the MD simulation agree with the previous calculations made using a time-independent phonon Boltzmann transport equation with complicated scattering mechanisms. These scattering mechanisms are very important in complicated nanostructures, as they allow the heat-transfer properties to be more accurately calculated by MD simulations. This work enables us to predict the phonon- and heat-related properties of bulk group IV alloys, especially ternary alloys.

We have newly developed the interatomic potential of Si, Ge or Ge, Sn mixed systems to reproduce the lattice constant, phonon frequency, and phonon dispersion relations in the bulk pure group IV crystal and group IV alloys by molecular dynamics (MD) simulation. The phonon dispersion relation is derived from the dynamical structure factor which is calculated by the space-time Fourier transform of atomic trajectories in MD simulation. The newly designed potential parameter set reproduces the experimental data of lattice constant and phonon frequency in Si, Ge, Sn, and SiGe. Furthermore, the Sn concentration dependence of the phonon frequency, which are not yet clarified, is calculated with three type assumptions of lattice constant in GeSn alloy. This work enables us to predict the elastic and phonon related properties of bulk group IV alloys.

A strained SiGe layer will be used in next-generation transistors to improve device performance along with device scaling. However, the stress relaxation of the SiGe layer may be inevitable in nanodevices, because the SiGe layer is processed into a nanostructure. In this study, we evaluated the anisotropic stress relaxation in mesa-shaped strained SiGe layers on a Si substrate by electron backscattering pattern (EBSP) measurement. Moreover, we compared the results of EBSP measurement with those of anisotropic Raman measurement and finite element method (FEM) simulation. As a result, the anisotropic stress relaxation obtained by Raman spectroscopy was confirmed by EBSP measurement. Additionally, we obtained a good correlation between the results of EBSP measurement and FEM simulation. The xx and yy stresses were markedly relaxed and the zz and xz stresses were concentrated at the SiGe layer edges. These stresses were mostly relaxed in the distance range from the SiGe layer edges to 200 nm. Therefore, in a SiGe nanostructure with a scale of less than 200 nm, stress relaxation is inevitable. The results of EBSP and Raman measurements, and FEM simulation show a common tendency. We believe that EBSP measurement is useful for the evaluation of stress tensors and is complementary to Raman measurement. © 2013 The Japan Society of Applied Physics.

A strained SiGe layer will be used in next-generation transistors to improve device performance along with device scaling. However, the stress relaxation of SiGe layer may be inevitable in nanodevices, because the SiGe layer is processed into nanostructure. In this study, we evaluated the stress relaxation profiles in mesa-shaped strained SiGe layers on Si substrate by electron back scattering pattern (EBSP), super-resolution Raman spectroscopy (SRRS) measurements, and finite element method (FEM) simulation. As a result, the stress relaxation profile with high spatial resolution was obtained by SRRS and EBSP measurements. The precise shear stress profiles were also obtained by EBSP measurement. Moreover, these stress profiles were reproduced by FEM simulation. The spatial resolution of EBSP and SRRS were estimated less than 100 nm. Thus, it is prospective to evaluate the precise stress relaxation profile in the sub-100 nm order devices by EBSP and SRRS measurements, respectively.

We demonstrate the results of a strain (stress) evaluation obtained from Raman spectroscopy measurements with the super-resolution method (the so-called super-resolution Raman spectroscopy) for a Si substrate with a patterned SiN film (serving as a strained Si sample). To improve the spatial resolution of Raman spectroscopy, we used the super-resolution method and a high-numerical-aperture immersion lens. Additionally, we estimated the spatial resolution by an edge force model (EFM) calculation. One- and two- dimensional stress distributions in the Si substrate with the patterned SiN film were obtained by super-resolution Raman spectroscopy. The results from both super-resolution Raman spectroscopy and the EFM calculation were compared and were found to correlate well. The best spatial resolution, 70 nm, was achieved by super-resolution Raman measurements with an oil immersion lens. We conclude that super-resolution Raman spectroscopy is a useful method for evaluating stress in miniaturized state-of-the-art transistors, and we believe that the super-resolution method will soon be a requisite technique.

We demonstrate the results of strain (stress) evaluation obtained from electron backscattering pattern (EBSP) measurement for samples of a strained Si-on-insulator (SSOI) and a Si substrate with a patterned SiN film. Two-dimensional stress distributions were obtained in 40 x 40 mu m(2) areas of the SSOI. The biaxial stress state was also obtained in the SSOI. Furthermore, clear cross-hatch contrast was observed, especially in the distribution of shear stress S-xy, in contrast to with the other distributions of normal stress S-xx and S-yy. One- and two-dimensional stress distributions in the Si substrate with the patterned SiN film were also obtained from EBSP measurement. Moreover, the results were compared with those of UV-Raman measurement and edge force model calculation, and were found to have a good correlation with each other. EBSP measurement was used to measure the complicated biaxial stress including the shear stress in a sample with a 150-nm-wide space pattern. We can conclude that EBSP measurement is a useful method for precisely measuring stress with high spatial resolution. (c) 2011 The Japan Society of Applied Physics