Nonlinear susceptibility of second harmonic generation corresponded to the diamond (100) surface structures

Changyong Xiao; Mikka Nishitani-Gamo; Yafei Zhang; Hiroyuki Tamura; Hui Zhou; Seiichi Takami; Momoji Kubo; Akira Miyamoto; Toshihiro Ando

doi:10.1143/jjap.39.1845

Nonlinear susceptibility of second harmonic generation corresponded to the diamond (100) surface structures

Changyong Xiao, Mikka Nishitani-Gamo, Yafei Zhang, Hiroyuki Tamura, Hui Zhou, Seiichi Takami, Momoji Kubo, Akira Miyamoto, Toshihiro Ando

Materials Design Division

Research output: Contribution to journal › Article › peer-review

Abstract

In order to investigate the relation between the diamond (100) surface structures and their nonlinear susceptibility of second harmonic generation (SHG), we optimized the surface geometries and calculated their electronic structures by using a semiempirical method of quantum chemistry with cluster models. The optimized geometries agreed well with experimental results. The diamond (100)-(1 × 1)-2H surface showed the minimum value of the surface SHG among the optimized geometries of the diamond surface. Decrease of the chemisorbed hydrogen on the surface resulted in increase of the surface SHG. The existence of surface dimers can enhance the surface SHG.

Original language	English
Pages (from-to)	1845-1848
Number of pages	4
Journal	Japanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers
Volume	39
Issue number	4 A
DOIs	https://doi.org/10.1143/jjap.39.1845
Publication status	Published - 2000

Keywords

Diamond
Quantum chemistry
Second harmonic generation
Surface dimer
Susceptibility

ASJC Scopus subject areas

Engineering(all)
Physics and Astronomy(all)

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10.1143/jjap.39.1845

Cite this

Xiao, C., Nishitani-Gamo, M., Zhang, Y., Tamura, H., Zhou, H., Takami, S., Kubo, M., Miyamoto, A., & Ando, T. (2000). Nonlinear susceptibility of second harmonic generation corresponded to the diamond (100) surface structures. Japanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers, 39(4 A), 1845-1848. https://doi.org/10.1143/jjap.39.1845

Nonlinear susceptibility of second harmonic generation corresponded to the diamond (100) surface structures. / Xiao, Changyong; Nishitani-Gamo, Mikka; Zhang, Yafei; Tamura, Hiroyuki; Zhou, Hui; Takami, Seiichi; Kubo, Momoji; Miyamoto, Akira; Ando, Toshihiro.

In: Japanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers, Vol. 39, No. 4 A, 2000, p. 1845-1848.

Research output: Contribution to journal › Article › peer-review

Xiao, C, Nishitani-Gamo, M, Zhang, Y, Tamura, H, Zhou, H, Takami, S, Kubo, M, Miyamoto, A & Ando, T 2000, 'Nonlinear susceptibility of second harmonic generation corresponded to the diamond (100) surface structures', Japanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers, vol. 39, no. 4 A, pp. 1845-1848. https://doi.org/10.1143/jjap.39.1845

Xiao, Changyong ; Nishitani-Gamo, Mikka ; Zhang, Yafei ; Tamura, Hiroyuki ; Zhou, Hui ; Takami, Seiichi ; Kubo, Momoji ; Miyamoto, Akira ; Ando, Toshihiro. / Nonlinear susceptibility of second harmonic generation corresponded to the diamond (100) surface structures. In: Japanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers. 2000 ; Vol. 39, No. 4 A. pp. 1845-1848.

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abstract = "In order to investigate the relation between the diamond (100) surface structures and their nonlinear susceptibility of second harmonic generation (SHG), we optimized the surface geometries and calculated their electronic structures by using a semiempirical method of quantum chemistry with cluster models. The optimized geometries agreed well with experimental results. The diamond (100)-(1 × 1)-2H surface showed the minimum value of the surface SHG among the optimized geometries of the diamond surface. Decrease of the chemisorbed hydrogen on the surface resulted in increase of the surface SHG. The existence of surface dimers can enhance the surface SHG.",

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AU - Zhou, Hui

AU - Takami, Seiichi

AU - Kubo, Momoji

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KW - Susceptibility

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Nonlinear susceptibility of second harmonic generation corresponded to the diamond (100) surface structures

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Keywords

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