Multi-level simulation study of crystal growth and defect formation processes in SiC

Hiromitsu Takaba, Ai Sagawa, Miki Sato, Seika Ouchi, Yuko Yoshida, Yukie Hayashi, Emi Sato, Kenji Inaba, Riadh Sahnoun, Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Momoji Kubo, Carlos A. Del Carpio, Yasuo Kitou, Emi Makino, Norikazu Hosokawa, Jun Hasegawa, Shoichi OndaAkira Miyamoto

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

    Abstract

    The mechanism of layer growth as well as defect formation in the SiC crystal is fundamentally important to derive its appropriate performance. The purpose of the present study is to investigate competitive adsorption properties of growth species on the various 4H-SiC polytype surfaces. Adsorption structure and binding energy of growth species in the experimentally condition on various SiC surfaces were investigated by density functional theory. For the SiC(000-1) and SiC(000-1) surfaces, the adsorption energy by DFT follows the orders C> H > Si > SiC2 > Si2C > C2H 2. Furthermore, based on the DFT results, amount of adsorption of each species in the experimental pressure condition were evaluated by grand canonical Monte Carlo method. H and Si are main adsorbed species on SiC(000-1) and SiC(000-1) surfaces, respectively. The ratio of amount of adsorption of Si to H was depending on the surface structure that might explain different growth rate of the surfaces.

    Original languageEnglish
    Title of host publicationSilicon Carbide and Related Materials 2007
    EditorsAkira Suzuki, Hajime Okumura, Kenji Fukuda, Shin-ichi Nishizawa, Tsunenobu Kimoto, Takashi Fuyuki
    PublisherTrans Tech Publications Ltd
    Pages131-134
    Number of pages4
    ISBN (Print)9780878493579
    DOIs
    Publication statusPublished - 2009
    Event12th International Conference on Silicon Carbide and Related Materials, ICSCRM 2007 - Otsu, Japan
    Duration: Oct 14 2007Oct 19 2007

    Publication series

    NameMaterials Science Forum
    Volume600-603
    ISSN (Print)0255-5476
    ISSN (Electronic)1662-9752

    Other

    Other12th International Conference on Silicon Carbide and Related Materials, ICSCRM 2007
    Country/TerritoryJapan
    CityOtsu
    Period10/14/0710/19/07

    All Science Journal Classification (ASJC) codes

    • Materials Science(all)
    • Condensed Matter Physics
    • Mechanics of Materials
    • Mechanical Engineering

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