First‐Principles Calculation of Bandgaps of Al1−xInxN Alloys and Short‐Period Al1−xInxN/Al1−yInyN Superlattices,Physica Status Solidi (B) - Basic Solid State Physics

当前位置： X-MOL 学术 › Phys. Status Solidi B › 论文详情

Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)

First‐Principles Calculation of Bandgaps of Al1−xInxN Alloys and Short‐Period Al1−xInxN/Al1−yInyN Superlattices
Physica Status Solidi (B) - Basic Solid State Physics ( IF 1.5 ) Pub Date : 2019-10-17 , DOI: 10.1002/pssb.201900530
Takahiro Kawamura ₁ , Yuma Fujita ₁ , Yuya Hamaji ₁ , Toru Akiyama ₁ , Yoshihiro Kangawa ₂ , Izabela Gorczyca ₃ , Tadeusz Suski ₃ , Małgorzata Wierzbowska ₃ , Stanisław Krukowski ₃

Affiliation

Bandgaps of AlInN alloys, short‐period InN/AlN superlattices (SLs), and short‐period AlInN alloy SLs are calculated using first‐principles calculations with the pseudopotential self‐interaction correction method. The dependence of these bandgaps on the composition and thickness of the SLs and the influence of strain are investigated. It is found that the bandgaps of the InN/AlN SLs depend on both the composition and thickness of the SLs. The maximum value of the bandgap equal to 2.56 eV is obtained for 1InN/4AlN SLs. The bandgaps of AlInN alloy SLs decrease with an increase in In content, and they cover the whole range between the values of AlN and InN. The bandgaps of InN/AlN SLs lattice‐matched to AlN are smaller than those of free‐standing InN/AlN SLs.

中文翻译：

Al1-xInxN合金和短周期Al1-xInxN / Al1-yInyN超晶格带隙的第一性原理计算

AlInN合金，短周期的InN / AlN超晶格（SLs）和短周期的AlInN合金SLs的带隙是使用准电位自相互作用校正方法使用第一性原理计算得出的。研究了这些带隙对SL的组成和厚度的依赖性以及应变的影响。发现InN / AlN SL的带隙取决于SL的组成和厚度。对于1InN / 4AlN SL，可获得等于2.56 eV的带隙最大值。AlInN合金SLs的带隙随In含量的增加而减小，并且它们覆盖AlN和InN值之间的整个范围。与AlN晶格匹配的InN / AlN SL的带隙小于独立的InN / AlN SL的带隙。

更新日期：2020-04-18

点击分享查看原文

点击收藏

阅读更多本刊新发论文