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论文类型：期刊论文

发表时间：2009-01-01

发表刊物：CHINESE SCIENCE BULLETIN

收录刊物：SCIE

卷号：54

期号：1

页面范围：131-136

ISSN号：1001-6538

关键字：hardness; atoms; ions; chemical bonds; materials

摘要：Based on the electron-holding energy per unit volume, we extend the concept of hardness to atomic stiffness, ionic stiffness and bond hardness, investigating the nature of material hardness at these three levels. We find that the stiffness of isolated atoms or ions has no direct connection with the hardness of materials, whereas material hardness is directly related to bond hardness, which is essentially determined by the electron-holding energy of its constituent chemical bonds per unit volume. We establish a model for identifying the hardness of materials on the basis of bond hardness. This work offers a deeper understanding of the nature of material hardness at the atomic level, and provides a practical guide in the search for new superhard materials.