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| 高Co-Ni二次硬化钢的电子结构及合金化行为 | |
| 引用本文： | 张国英,钱存富,曾梅光,刘贵立. 高Co-Ni二次硬化钢的电子结构及合金化行为[J]. 计算物理, 2000, 17(4): 433-437 |
| 作者姓名： | 张国英 钱存富 曾梅光 刘贵立 |
| 作者单位： | 1. 东北大学，辽宁沈阳 110006 沈阳工业大学，辽宁沈阳 110023 2. 沈阳工业大学，辽宁沈阳 110023 3. 东北大学，辽宁沈阳 110006 |
| 基金项目： | 国家95攻关项目资金资助项目(98-A28-01-02) |
| 摘 要： | 在紧束缚框架下用Ｒｅｃｕｒｓｉｏｎ方法计算了高Ｃｏ－Ｎｉ二次硬化钢的电子结构，替位和间隙固溶元素的局域态密度通过总态密度的积分计算了体系的费米能及原子间相互作用的键级积分，讨论了替位和间隙溶元素对合金网物理性质的影响。 |
| 关 键 词： | Recursion方法 电子结构 合金化 马氏体 钢 |
| 文章编号： | 1001-246X(2000)04-0433-05 |
| 修稿时间： | 1999-04-14 |
ELECTRONIC STRUCTURE AND ALLOY BEHAVIORS OF HIGH Co-Ni SECONDARY HARDENED MARTENSITIC STEELSZHANG |
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| Abstract: | The electronic structure of high Ni-Co secondary hardening martensitic steel has been investigated by the recursion method in the tight-binding approximation. The local density of states(LDOS) of alloying elements in two kinds of structure (with carbon or without carbon) have been caculated. By theintegration of the total density of states(TDOS), the Fermi energy of system, the bond order integral(BOI) between atoms are presented for alloying steel. On the basis of these results, the bonding characteristics, the physical propertiesas well as the influence of different alloying elements on physical properties of high Ni-Co secondary hardening martensitic steel are discussed. |
| Keywords: | recursion method electronic structure the model of cluster |
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