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短周期GaN/AlN超晶格中的声子:群论分析、计算与拉曼光谱

Phonons in Short-Period GaN/AlN Superlattices: Group-Theoretical Analysis, Calculations, and Raman Spectra.

作者信息

Davydov Valery, Roginskii Evgenii, Kitaev Yuri, Smirnov Alexander, Eliseyev Ilya, Nechaev Dmitrii, Jmerik Valentin, Smirnov Mikhail

机构信息

Ioffe Institute, 194021 St. Petersburg, Russia.

Department of Physics, Saint-Petersburg State University, 199034 St. Petersburg, Russia.

出版信息

Nanomaterials (Basel). 2021 Jan 22;11(2):286. doi: 10.3390/nano11020286.

DOI:10.3390/nano11020286
PMID:33499097
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7911830/
Abstract

We report the results of experimental and theoretical studies of phonon modes in GaN/AlN superlattices (SLs) with a period of several atomic layers, grown by submonolayer digital plasma-assisted molecular-beam epitaxy, which have a great potential for use in quantum and stress engineering. Using detailed group-theoretical analysis, the genesis of the SL vibrational modes from the modes of bulk AlN and GaN crystals is established. calculations in the framework of the density functional theory, aimed at studying the phonon states, are performed for SLs with both equal and unequal layer thicknesses. The frequencies of the vibrational modes are calculated, and atomic displacement patterns are obtained. Raman spectra are calculated and compared with the experimental ones. The results of the calculations are in good agreement with the experimental Raman spectra and the results of the group-theoretical analysis. As a result of comprehensive studies, the correlations between the parameters of acoustic and optical phonons and the structure of SLs are obtained. This opens up new possibilities for the analysis of the structural characteristics of short-period GaN/AlN SLs using Raman spectroscopy. The results obtained can be used to optimize the growth technologies aimed to form structurally perfect short-period GaN/AlN SLs.

摘要

我们报道了通过亚单层数字等离子体辅助分子束外延生长的、周期为几个原子层的GaN/AlN超晶格(SLs)中声子模式的实验和理论研究结果,这种超晶格在量子和应力工程方面具有巨大的应用潜力。通过详细的群论分析,确定了SL振动模式由体AlN和GaN晶体模式产生的过程。在密度泛函理论框架下进行了计算,旨在研究声子态,计算了层厚相等和不相等的SLs的振动模式频率,并得到了原子位移模式。计算了拉曼光谱并与实验光谱进行了比较。计算结果与实验拉曼光谱以及群论分析结果吻合良好。通过综合研究,获得了声学和光学声子参数与SLs结构之间的相关性。这为利用拉曼光谱分析短周期GaN/AlN SLs的结构特征开辟了新的可能性。所得结果可用于优化旨在形成结构完美的短周期GaN/AlN SLs的生长技术。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a3f0/7911830/b34d424786f4/nanomaterials-11-00286-g014.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a3f0/7911830/199a7e9a1b03/nanomaterials-11-00286-g003.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a3f0/7911830/16b5d943aac2/nanomaterials-11-00286-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a3f0/7911830/a446bac91feb/nanomaterials-11-00286-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a3f0/7911830/e3215298bdb2/nanomaterials-11-00286-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a3f0/7911830/f144451c4f8c/nanomaterials-11-00286-g010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a3f0/7911830/20faf533cec5/nanomaterials-11-00286-g011.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a3f0/7911830/b34d424786f4/nanomaterials-11-00286-g014.jpg

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