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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 ,讨论了替位和间隙固溶元素对合金钢物理性质的影响。
In the tight binding framework, Recursion method was used to calculate the electronic structure, the substitutional position and the interstitial density of interstitial solute elements in high Co Ni secondary hardened steels. The integral of the total state density was used to calculate the bond-type integrals of the Fermi energy and the atomic interactions. The effects of the substitutional and interstitial solution elements on the physical properties of the alloy steel were discussed.