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首页> 中文期刊> 《中国物理快报：英文版》 >Theoretical Hardness of Wurtzite-Structured Semiconductors

Theoretical Hardness of Wurtzite-Structured Semiconductors

         
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摘要

Vickers hardness calculations of eleven wurtzite-structured semiconductors are performed based on the microscopic hardness model All the parameters are obtained from first-principles calculations. There axe two types of chemical bonds in wurtzite-structured crystals. The overlap populations of the two types of chemical bonds in lonsdaleite are chosen as Pc for wurtzite structure. The calculated bond ionicity values of the wurtzite-structured semiconductors are in good agreement with the ionicities from the dielectric definition. When the hardness of wurtzite-structured crystal is higher than 20GPa, our calculated Vickers hardness is within 10% accuracy. Therefore, the hardness of novel wurtzite-structured crystal could be estimated from first-principles calculations.

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  • 来源
    《中国物理快报：英文版》 |2008年第6期|2158-2161|共4页
  • 作者

    GUO Xiao-Ju; XU Bo; LIU Zhong-Yuan; YU Dong-Li; HE Ju-Long; GUO Li-Cong;

  • 作者单位

    State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004;

    State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004;

    State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004;

    State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004;

    State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004;

    College of Materials Science and Engineering, Hebei University of Science and Technology, Shijiazhuang 050018;

  • 原文格式 PDF
  • 正文语种 chi
  • 中图分类 物理学;
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