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利用扩展休克尔方法,结合自包容子程序,计算了卤化银晶体的能带结构,得出了带隙和价带宽度。结果表明三种晶体皆为非直接带隙物质。
The bandgap and valence band width of the silver halide crystal were calculated by using the extended Huckle method and the self-contained subroutine. The results show that all three crystals are non-direct bandgap materials.