KoP calculations of bismuth induced changes band structure of InN1-xBix, GaN1-xBix, and AlN1-xBix alloys
首发时间:2017-11-14
Abstract:In this paper,Valence Band Anticrossing (VBAC) model is used to investigate band structure of InN1-xBix, GaN1-xBix and AlN1-xBix for the purpose of optimal performance group-III nitride related devices. Obvious reduction in band gap and increase in spin-orbit splitting energy are founded by doping dilute concentration of bismuth in all these III-N material. The band gap of GaN1-xBix and AlN1-xBix show a step change, and this can be explained by the special position relation between of Bi impurity energy level with corresponding host\'s band offsets. We also show how bismuth may be used to form alloys whereby ΔSO>Eg thereby providing a means of suppressing non-radiative CHSH (hot-hole producing) Auger recombination and inter-valence band absorption. For InN1-xBix, bismuth concentration beyond 1.25% is found to be corresponding to the range of ΔSO>Eg and it shows a continuous adjustable bandgap from 0.7 eV to zero. This may make InN1-xBix a potential candidate for near or mid-infrared optoelectronic applications.
keywords: Computational physics Band structure III-N-Bi VBAC Spin-orbit splitting energy
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基于KoP方法的InN1-xBix,GaN1-xBix和AlN1-xBix电子能带研究
摘要:为了优化Ⅲ族氮化物相关器件的电子效率,价带交叉模型(VBAC)被用来研究InN1-xBix, GaN1-xBix和AlN1-xBix体系的电子能带结构。明显的带隙缩小和自旋轨道劈裂能的增大在这三种Ⅲ族氮化物的稀铋掺杂结构中都被发现了,并且在GaNBi和AlNBi这两个结构中,发现了带隙的突变现象,该现象可以用Bi原子杂质能级与宿主半导体能带的关联性解释。对于可能能够成功抑制俄歇复合中的CHSH过程的Bi掺杂范围,也被计算推导了出来。就InNBi体系而言,Bi原子浓度只要超过1.25%就可以起到抑制俄歇复合的作用,并且其带隙变化展现出从0.7eV到0eV的连续变化,这可能使InNBi成为近红外或中红外光电子器件的优秀潜在材料。
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基于KoP方法的InN1-xBix,GaN1-xBix和AlN1-xBix电子能带研究
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