1. Critical Evaluation of Various Spontaneous Polarization Models and Induced Electric Fields in III-Nitride Multi-Quantum Wells
- Author
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Pawel Strak, Jacek Piechota, Pawel Kempisty, Kamil Koronski, Konrad Sakowski, Eva Monroy, Izabella Grzegory, Serhii Kryvyi, A. Wierzbicka, Agata Kaminska, Stanislaw Krukowski, Ashfaq Ahmad, Institute of High Pressure Physics [Warsaw] (IHPP), Polska Akademia Nauk = Polish Academy of Sciences (PAN), Institute of Physics, Polish Academy of Sciences, Nanophysique et Semiconducteurs (NPSC), PHotonique, ELectronique et Ingénierie QuantiqueS (PHELIQS), Institut de Recherche Interdisciplinaire de Grenoble (IRIG), Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Direction de Recherche Fondamentale (CEA) (DRF (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Grenoble Alpes (UGA)-Institut de Recherche Interdisciplinaire de Grenoble (IRIG), and Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Grenoble Alpes (UGA)
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Technology ,nitrides ,Materials science ,Superlattice ,02 engineering and technology ,Nitride ,7. Clean energy ,01 natural sciences ,Article ,[SPI]Engineering Sciences [physics] ,Condensed Matter::Materials Science ,Ab initio quantum chemistry methods ,Electric field ,0103 physical sciences ,General Materials Science ,010306 general physics ,Polarization (electrochemistry) ,Quantum well ,Wurtzite crystal structure ,[PHYS]Physics [physics] ,Microscopy ,QC120-168.85 ,Condensed matter physics ,QH201-278.5 ,021001 nanoscience & nanotechnology ,Engineering (General). Civil engineering (General) ,Piezoelectricity ,TK1-9971 ,Descriptive and experimental mechanics ,Electrical engineering. Electronics. Nuclear engineering ,TA1-2040 ,0210 nano-technology ,spontaneous polarization ,multi-quantum wells - Abstract
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.
- Published
- 2021
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