| Al3V化合物的内聚性质 |
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| 引用本文： | 徐建华.Al3V化合物的内聚性质[J].物理学报,1989,38(4):679-682. |
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| 作者姓名： | 徐建华 |
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| 作者单位： | 中国科学院上海冶金研究所 |
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| 摘 要： | 用局域密度总能方法研究了两种不同(DO22和L12)相结构Al3V化合物的内聚性质。计算所得DO22结构Al3V化合物的点阵常数(a=3.72?,c=8.20?)与实验结果一致,体弹性模量(1.3Mbar)与Al3Ti化合物的实验杨氏模最可相比较。计算所得生成热(29±1kcal/mol)与实验值(26.0kcal/mol)相符。
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| 关 键 词： | Al3V化合物 内聚性质 |
| 收稿时间： | 1988-08-26 |
COHESIVE PROPERTIES OF Al3V |
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| XU JIAN-HUA.COHESIVE PROPERTIES OF Al3V[J].Acta Physica Sinica,1989,38(4):679-682. |
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| Authors: | XU JIAN-HUA |
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| Abstract: | The cohesive properties of A13V in the two different structures (DO22 and Ll2) were in-vestigated by means of local density total energy approach. The calculated lattice constant (α= 3.72?, c = 8.20?) for A13V in DO22 structure is in agreement with experiment, the bulk modulus (1.3 Mbar) is consistent with the experimental Young modulus for Al3Ti, and the calculated formation energy (29±1 kcal/mol) agrees reasonably well with experimental value (26.0kcal/mol).
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