Critical Evaluation of Various Spontaneous Polarization Models and Induced Electric Fields in III-Nitride Multi-Quantum Wells

In this paper, ab initio calculations are used to determine polarization difference in zinc blende (ZB), hexagonal (H) and wurtzite (WZ) AlN-GaN and GaN-InN superlattices. It is shown that a polarization difference exists between WZ nitride compounds, while for H and ZB lattices the results are cons...

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Vydáno v:Materials Ročník 14; číslo 17; s. 4935
Hlavní autoři: Ahmad, Ashfaq, Strak, Pawel, Koronski, Kamil, Kempisty, Pawel, Sakowski, Konrad, Piechota, Jacek, Grzegory, Izabella, Wierzbicka, Aleksandra, Kryvyi, Serhii, Monroy, Eva, Kaminska, Agata, Krukowski, Stanislaw
Médium: Journal Article
Jazyk:angličtina
Vydáno: Basel MDPI AG 30.08.2021
MDPI
Témata:
[PHYS]Physics [physics]
[SPI]Engineering Sciences [physics]
Aluminum nitride
Approximation
Electric fields
Engineering Sciences
Gallium nitrides
Indium nitride
Lattices
Multi Quantum Wells
nitrides
Optoelectronic devices
Photoluminescence
Physics
Piezoelectricity
Polarization
Quantum mechanics
Quantum wells
Semiconductors
spontaneous polarization
Superlattices
Wurtzite
Zincblende
ISSN:1996-1944, 1996-1944
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Shrnutí:In this paper, ab initio calculations are used to determine polarization difference in zinc blende (ZB), hexagonal (H) and wurtzite (WZ) AlN-GaN and GaN-InN superlattices. It is shown that a polarization difference exists between WZ nitride compounds, while for H and ZB lattices the results are consistent with zero polarization difference. It is therefore proven that the difference in Berry phase spontaneous polarization for bulk nitrides (AlN, GaN and InN) obtained by Bernardini et al. and Dreyer et al. was not caused by the different reference phase. These models provided absolute values of the polarization that differed by more than one order of magnitude for the same material, but they provided similar polarization differences between binary compounds, which agree also with our ab initio calculations. In multi-quantum wells (MQWs), the electric fields are generated by the well-barrier polarization difference; hence, the calculated electric fields are similar for the three models, both for GaN/AlN and InN/GaN structures. Including piezoelectric effect, which can account for 50% of the total polarization difference, these theoretical data are in satisfactory agreement with photoluminescence measurements in GaN/AlN MQWs. Therefore, the three models considered above are equivalent in the treatment of III-nitride MQWs and can be equally used for the description of the electric properties of active layers in nitride-based optoelectronic devices.
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PMCID: PMC8433669
ISSN:1996-1944
1996-1944
DOI:10.3390/ma14174935