Calculation of the bulk modulus of simple and complex crystals with the chemical bond method
文献类型：期刊论文
| 作者 | Zhang SY ; Li HL ; Li HY ; Zhou SH ; Cao XQ |
| 刊名 | journal of physical chemistry b
 |
| 出版日期 | 2007 |
| 卷号 | 111期号:6页码:1304-1309 |
| 关键词 | THERMAL-EXPANSION DEBYE TEMPERATURE SEMICONDUCTORS COMPRESSIBILITY MICROHARDNESS CONSTANTS DIAMOND VOLUME SPINEL |
| ISSN号 | 1520-6106 |
| 通讯作者 | zhang sy |
| 中文摘要 | the relation between the lattice energies and the bulk moduli on binary inorganic crystals was studied, and the concept of lattice energy density is introduced. we find that the lattice energy densities are in good linear relation with the bulk moduli in the same type of crystals, the slopes of fitting lines for various types of crystals are related to the valence and coordination number of cations of crystals, and the empirical expression of calculated slope is obtained. from crystal structure, the calculated results are in very good agreement with the experimental values. at the same time, by means of the dielectric theory of the chemical bond and the calculating method of the lattice energy of complex crystals, the estimative method of the bulk modulus of complex crystals was established reasonably, and the calculated results are in very good agreement with the experimental values. |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000244039700009 |
| 公开日期 | 2010-07-13 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/13899]  |
| 专题 | 长春应用化学研究所_长春应用化学研究所知识产出_期刊论文 |
| 推荐引用方式 GB/T 7714 | Zhang SY,Li HL,Li HY,et al. Calculation of the bulk modulus of simple and complex crystals with the chemical bond method[J]. journal of physical chemistry b,2007,111(6):1304-1309. |
| APA | Zhang SY,Li HL,Li HY,Zhou SH,&Cao XQ.(2007).Calculation of the bulk modulus of simple and complex crystals with the chemical bond method.journal of physical chemistry b,111(6),1304-1309. |
| MLA | Zhang SY,et al."Calculation of the bulk modulus of simple and complex crystals with the chemical bond method".journal of physical chemistry b 111.6(2007):1304-1309. |
入库方式： OAI收割
来源：长春应用化学研究所
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