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| 第一性原理研究应变Si/(001)Si_(1-X)Ge_X能带结构 | |
| 引用本文： | 牛玉峰,庄奕琪,胡辉勇,宋建军. 第一性原理研究应变Si/(001)Si_(1-X)Ge_X能带结构[J]. 固体电子学研究与进展, 2009, 29(3) |
| 作者姓名： | 牛玉峰 庄奕琪 胡辉勇 宋建军 |
| 作者单位： | 西安电子科技大学微电子学院,宽禁带半导体材料与器件重点实验室,西安,710071 |
| 摘 要： | 应变SiCMOS技术是当前研究发展的重点,其材料的能带结构是研究设计高速/高性能器件和电路的理论基础。基于密度泛函理论框架的第一性原理平面波赝势方法对双轴应变Si/(001)Si1-XGeX(X=0.1～0.4)的能带结构进行了研究,结果表明:应变消除了价带带边和导带带边的简并度;应变几乎没有改变电子有效质量,而沿[100]方向空穴有效质量随着Ge组份的增加而显著变小;导带劈裂能、价带劈裂能、禁带宽度与Ge组份X的拟合结果都是线性函数关系。以上结论为Si基应变MOS器件性能增强的研究及导电沟道的应力与晶向设计提供了重要理论依据。 |
| 关 键 词： | 应变硅 能带结构 第一性原理 |
Band Structure of Strained Si/(001)Si_(1-X)Ge_X by First Principles Investigation |
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| NIU Yufeng,ZHUANG Yiqi,HU Huiyong,SONG Jianjun. Band Structure of Strained Si/(001)Si_(1-X)Ge_X by First Principles Investigation[J]. Research & Progress of Solid State Electronics, 2009, 29(3) | |
| Authors: | NIU Yufeng ZHUANG Yiqi HU Huiyong SONG Jianjun |
| Affiliation: | NIU Yufeng ZHUANG Yiqi HU Huiyong SONG Jianjun(School of Microelectronics,Xidian University,Key Laboratory of Wide Band-gap Semiconductor Materials and Devices,Xi'an,710071,CHN) |
| Abstract: | There has been a lot of interest in the strained Si CMOS technology lately,especially the modification of band structures which provides a theoretical basis for the design of the high-speed and high-performance devices and circuits.Calculations were performed on the band structures in(001)-biaxially strained Si on relaxed Si1-XGeX alloy with Ge fraction ranging from X=0 to 0.4 in steps of 0.1 by CASTEP approach.It was found that both the conduction band(CB)and valence band(VB)edge degeneracies are partially... |
| Keywords: | strained Si band structure first principle |
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