硅基超晶格Si_(1-x)Sn_x/Si的能带结构

Abstract

【中文摘要】 由于Si基发光材料能与现有的Si微电子工艺兼容,其应用前景被广泛看好.设计具有直接带隙的Si基材料,备受实验和理论研究者的关注.本文根据芯态效应、电负性差效应和对称性效应设计了Si基超晶格Si1-xSnx/Si.其中Si0.875Sn0.125/Si为直接带隙材料.在密度泛函框架内,采用平面波赝势法计算表明,Si0.875Sn0.125/Si为直接带隙超晶格,最小带隙在Γ点.进一步采用准粒子近似方法计算,我们预测该材料的带隙值为0.96eV. 【英文摘要】 The prospects of Si-based optical emitting materials are optimistic because the materials are compatible with silicon microelectronics technology.Therefore,many experimental and theoretical studies are directed to the design of direct band-gap Si-based materials.Based on the core state effect,the electronegativity differences effect of component atoms and the symmetry effect,Si-based superlattices Si1-xSnx/Si were designed.We found that Si0.875Sn0.125/Si is a direct band-gap material.In the density function...