Download Computational Materials Design by Takahisa Ohno, Tamio Oguchi (auth.), Dr. Tetsuya Saito PDF

By Takahisa Ohno, Tamio Oguchi (auth.), Dr. Tetsuya Saito (eds.)

Computational fabrics Design contains ten chapters outlining a variety of fabrics layout applied sciences from first-principle calculations to continuum mechanics, with profitable functions to fabrics layout and improvement. each one thought is defined from the perspective of a proper know-how. So the reader can comprehend the description of every idea and the effectiveness of computational ways by way of fabrics phenomena in addition to fabrics layout and development.

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Kinoshita, W. Ohta: IEEE Trans. Magn. 29, 3040 (1993). 24. A. Sakuma: J. Magn. Mater. 102, 127 (1991). 25. S. Matter: Z. Phys. B 87, 91 (1992). 26. I. Min: Phys. Rev. B 46, 8232 (1992). 27. S. Ishida, K Kitawase, S. Fujii, S. Asano: J. , Condens. Matter 4,765 (1992). 28. O. F. Jansen: Phys. Rev. B 48, 3830 (1993). 29. H. Sawada, A. Nogami, T. Matsumiya, T. Oguchi: Phys. Rev. B 50, 10004 (1994). 30. KH. Jack: Proc. R Soc. Lond. A 208, 216 (1951). 31. T. Minamisono, Y. Nojiri, K. Matusta, T. Iwayama, M.

The Si adatom hardly migrates, apart from the Si dimer atom from which the H atom is detached. The reduction of the surface Si mobility would increase the surface roughness of the epitaxial Si film. The increased surface roughness seems to intrinsieally lead to the crystalline to amorphous transition of the Si film on the H-terminated Si(OOl) surface [66], as well as on the bare surface. As a result, the Si homoepitaxy on the monohydride surface may be disrupted due to the reduction of the Si migration.

21. Total energy curve of the H migration during the transformation between the H- and no-capture geometries at the M site, as a function of the displacement of the H atom. The geometries appearing during the H migration are also presented in the top view. 32 Electronic Structure Theory for Condensed Matter Systems [74, 75]. The Si adatom hardly migrates, apart from the Si dimer atom from which the H atom is detached. The reduction of the surface Si mobility would increase the surface roughness of the epitaxial Si film.

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