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首页> 外文期刊>Materials Chemistry and Physics. >Valence electron structure analysis of diamond crystal growth from Fe-C system
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Valence electron structure analysis of diamond crystal growth from Fe-C system

机译：Fe-C体系金刚石晶体生长的价电子结构分析

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摘要

Based on the empirical electron theory of solid and molecules (EET) the valence electron structures (VESs) of diamond, graphite, Fe_3C and 7-Fe crystal were constructed, and the relative electron density differences (REDDs) of the diamond growth interfaces were calculated. It was found that the REDDs of graphite/diamond interfaces were all great, while three among those of Fe_3C/diamond interfaces were little enough that the electron densities were continuous at the first order of approximation, which means that the carbon atom groups are easier to decompose from Fe_3C than from graphite and to transform into diamond structure. Moreover, two of the REDDs of γ-Fe/Fe_3C interfaces were continuous. Accordingly, it can be reasonably suggested that the carbon source for diamond crystal growth may come from the decomposition of Fe_3C instead of graphite, 7-Fe plays a role of catalysis to promote the decomposition of Fe_3C, and the diamond transformation should be finished on the diamond/film interface.
机译：基于固体和分子（EET）的经验电子理论，构造了金刚石，石墨，Fe_3C和7-Fe晶体的价电子结构（VES），并计算了金刚石生长界面的相对电子密度差（REDD）。 。发现石墨/金刚石界面的REDD都很大，而Fe_3C /金刚石界面的REDDs很小，以致电子密度在一阶近似时是连续的，这意味着碳原子团更容易从Fe_3C分解而不是从石墨分解并转变成金刚石结构。此外，γ-Fe/ Fe_3C界面的两个REDD是连续的。因此，可以合理地认为，金刚石晶体生长的碳源可能来自Fe_3C的分解而不是石墨的分解，7-Fe起催化作用，促进了Fe_3C的分解，金刚石的转变应在金刚石表面完成。钻石/电影界面。

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  • 来源
    《Materials Chemistry and Physics.》 |2009年第1期|276-280|共5页
  • 作者

    Li Li; Boshi Xing;

  • 作者单位

    School of Mechanical and Electrical Engineering, Hebei University of Engineering, Guangming South Street 799, Handan 056038, PR China;

    School of Mechanical and Electrical Engineering, Hebei University of Engineering, Guangming South Street 799, Handan 056038, PR China;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    interfaces; carbides; crystal growth; electronic structure;

    机译：接口;碳化物;晶体生长电子结构;

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