| 硅基超晶格Si1-xSnx/Si的能带结构 |
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| 引用本文： | 吕铁羽,陈捷,黄美纯.硅基超晶格Si1-xSnx/Si的能带结构[J].物理学报,2010,59(7):4843-4848. |
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| 作者姓名： | 吕铁羽 陈捷 黄美纯 |
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| 作者单位： | 厦门大学物理系,厦门,361005 |
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| 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
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| 关 键 词： | 密度泛函 准粒子近似 Si基超晶格 |
| 收稿时间： | 2009-10-23 |
and structure of Si-based superlattices Si1-xSnx/Si |
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| Lü Tie-Yu,Chen Jie,Huang Mei-Chun.and structure of Si-based superlattices Si1-xSnx/Si[J].Acta Physica Sinica,2010,59(7):4843-4848. |
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| Authors: | Lü Tie-Yu Chen Jie Huang Mei-Chun |
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| Institution: | Department of Physics, Xiamen University, Xiamen 361005, China;Department of Physics, Xiamen University, Xiamen 361005, China;Department of Physics, Xiamen University, Xiamen 361005, China |
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| Abstract: | 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 functional theory frame, the results of plane pesupotential method show that Si0.875Sn0.125/Si is a direct band-gap superlattice with minimum band-gap at Γ point. We predict that the band gap of the material is 0.96 eV with the help of GW approximation method. |
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| Keywords: | density functional theory GW appoximation Si-based superlattice |
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