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将平均键能方法推广应用于应变层异质结的带阶研究 .通过流体静压力应变和单轴应变对带阶参量Emv作用的仔细研究 ,发现平均带阶参量Emv,av=Em-Ev ,av在不同应变状态下基本上保持不变 .因此 ,在应变层带阶参量Emv的计算中 ,只需计算其发生应变前体材料的带阶参量Emv,o值并引用形变势b和SO裂距Δ0 的实验值 ,通过简便的代数运算得到应变层的Emv值 ,从而方便地预言不同应变层异质结的带阶 .该简化计算方案计算量小 ,并更直接地引用材料实验参量值以提高计算结果的可信度
The average bond energy method is extended to the band-order study of strain-level heterojunction.According to the careful study of the effect of band-parameter Emv by hydrostatic stress and uniaxial strain, it is found that the average order parameter Emv, av = Em-Ev, av remains basically unchanged under different strain states, therefore, only the parameter Emv, o of the staged precursor of the strained precursor material should be calculated in the calculation of the order parameter Emv of the strained layer, and the deformation potential b and SO crack From the experimental values of Δ0, we obtain the strain-level Emv values by simple algebraic operation, so as to predict the bands of different strained-layer heterojunctions conveniently.The computational complexity of the simplified method is small and more directly refers to the material experimental parameters Increase the credibility of the calculation results