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

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

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
Publication status	Published - 2000 Dec 1

Keywords

Diamond
Quantum chemistry
Second harmonic generation
Surface dimer
Susceptibility

ASJC Scopus subject areas

Engineering(all)
Physics and Astronomy(all)

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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, 01.12.2000, p. 1845-1848.

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

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 - Xiao, Changyong

AU - Nishitani-Gamo, Mikka

AU - Zhang, Yafei

AU - Tamura, Hiroyuki

AU - Zhou, Hui

AU - Takami, Seiichi

AU - Kubo, Momoji

AU - Miyamoto, Akira

AU - Ando, Toshihiro

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N2 - 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.

AB - 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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KW - Quantum chemistry

KW - Second harmonic generation

KW - Surface dimer

KW - Susceptibility

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