在紧束缚框架下用 Recursion方法计算了高强高韧钢中奥氏体相的电子结构。计算了替位和间隙固溶元素的局域态密度 (L DOS)。通过总态密度 (TDOS)的积分计算了体系的结构能及原子间的键级积分 ,讨论了替位和间隙固溶元素对合金钢奥氏体相物理性能的影响。 The electronic structure of the austenite phase in high strength and high toughness steel was calculated by Recursion method in a tight binding framework. The local state density (L DOS) of the solution and interstitial elements was calculated. The integral of the total state density (TDOS) is used to calculate the structure energy of the system and the bond-level integral between atoms. The influence of substitutional and interstitial solution elements on the physical properties of the austenitic phase of the alloy steel is discussed.