Comprehensive Study on Band-Gap Variations in sp3-Bonded Semiconductors: Roles of Electronic States Floating in Internal Space
Comprehensive Study on Band-Gap Variations in sp3-Bonded Semiconductors: Roles of Electronic States Floating in Internal Space
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DOI：
10.7566/jpsj.86.054702
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发表时间：
2017-05-15
影响因子：
1.7
通讯作者：
Oshiyama, Atsushi
中科院分区：
文献类型：
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作者：
Matsushita, Yu-ichiro;Oshiyama, Atsushi
我们进行了电子结构计算，以探索 sp(3-) 键合半导体材料（即 SiC、AlN、BN、GaN、Si 和金刚石）多型体的带隙依赖性。在这项综合研究中，我们发现带隙对多型体的依赖性在sp(3)键合半导体中很常见； SiC、AlN 和 BN 在 3C 结构中表现出最小的带隙，而金刚石在 2H 结构中表现出最小的带隙。我们还阐明了带隙变化的微观机制是由于导带最小值（CBM）处内部沟道空间中漂浮的特殊电子态所致，并且内部沟道长度和沟道中的静电势影响了CBM的能级。
We have performed electronic structure calculations to explore the band-gap dependence on the polytype for sp(3-)bonded semiconducting materials, i.e., SiC, AlN, BN, GaN, Si, and diamond. In this comprehensive study, we have found that the dependence of the band gap on the polytype is common in sp(3)-bonded semiconductors; SiC, AlN, and BN exhibit the smallest band gaps in the 3C structure, whereas diamond does in the 2H structure. We have also clarified that the microscopic mechanism of the band-gap variations is due to peculiar electron states floating in the internal channel space at the conduction band minimum (CBM), and that the internal channel length and the electrostatic potential in the channel affect the energy level of the CBM.