Investigating the Photovoltaic Performance in ABO<sub>3</sub> Structures via the Nonlinear Bond Model for an Arbitrary Incoming Light Polarization

ABO<sub>3</sub> structures commonly known as perovskite are of high importance in advanced material science due to their interesting optical properties. Applications range from tunable band gaps, high absorption coefficients, and versatile electronic properties, making them ideal for sol...

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Main Authors: Hendradi Hardhienata, Indra Ramdhani, Husin Alatas, Salim Faci, Muhammad Danang Birowosuto
Format: Article
Language:English
Published: MDPI AG 2023-11-01
Series:Micromachines
Subjects:
Online Access:https://www.mdpi.com/2072-666X/14/11/2063
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author Hendradi Hardhienata
Indra Ramdhani
Husin Alatas
Salim Faci
Muhammad Danang Birowosuto
author_facet Hendradi Hardhienata
Indra Ramdhani
Husin Alatas
Salim Faci
Muhammad Danang Birowosuto
author_sort Hendradi Hardhienata
collection DOAJ
description ABO<sub>3</sub> structures commonly known as perovskite are of high importance in advanced material science due to their interesting optical properties. Applications range from tunable band gaps, high absorption coefficients, and versatile electronic properties, making them ideal for solar cells to light-emitting diodes and even photodetectors. In this work, we present, for the first time, a nonlinear phenomenological bond model analysis of second harmonic generation (SHG) in tetragonal ABO<sub>3</sub> with arbitrary input light polarization. We study the material symmetry and explore the strength of the nonlinear generalized third-rank tensorial elements, which can be exploited to produce a high SHG response if the incoming light polarization is correctly selected. We found that the calculated SHG intensity profile aligns well with existing experimental data. Additionally, as the incoming light polarization varies, we observed a smooth shift in the SHG intensity peak along with changes in the number of peaks. These observations confirm the results from existing rotational anisotropy SHG experiments. In addition, we show how spatial dispersion can contribute to the total SHG intensity. Our work highlights the possibility of studying relatively complex structures, such as ABO<sub>3</sub>, with minimal fitting parameters due to the power of the effective bond vector structure, enabling the introduction of an effective SHG hyperpolarizability rather than a full evaluation of the irreducible SHG tensor by group theoretical analysis. Such a simplification may well lead to a better understanding of the nonlinear properties in these classes of material and, in turn, can improve our understanding of the photovoltaic performance in ABO<sub>3</sub> structures.
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spelling doaj.art-3744a717896344f49275b3e68de7eda82023-11-24T14:56:25ZengMDPI AGMicromachines2072-666X2023-11-011411206310.3390/mi14112063Investigating the Photovoltaic Performance in ABO<sub>3</sub> Structures via the Nonlinear Bond Model for an Arbitrary Incoming Light PolarizationHendradi Hardhienata0Indra Ramdhani1Husin Alatas2Salim Faci3Muhammad Danang Birowosuto4Theoretical Physics Division, Department of Physics, IPB University, Meranti Avenue, Wing S Building, Dramaga Campus of IPB, Bogor 16680, West Java, IndonesiaTheoretical Physics Division, Department of Physics, IPB University, Meranti Avenue, Wing S Building, Dramaga Campus of IPB, Bogor 16680, West Java, IndonesiaTheoretical Physics Division, Department of Physics, IPB University, Meranti Avenue, Wing S Building, Dramaga Campus of IPB, Bogor 16680, West Java, IndonesiaESYCOM, Université Gustave Eiffel, CNRS, CNAM, 292, rue Saint-Martin, 75003 Paris, FranceŁukasiewicz Research Network-PORT Polish Center for Technology Development, Stabłowicka 147, 54-066 Wrocław, PolandABO<sub>3</sub> structures commonly known as perovskite are of high importance in advanced material science due to their interesting optical properties. Applications range from tunable band gaps, high absorption coefficients, and versatile electronic properties, making them ideal for solar cells to light-emitting diodes and even photodetectors. In this work, we present, for the first time, a nonlinear phenomenological bond model analysis of second harmonic generation (SHG) in tetragonal ABO<sub>3</sub> with arbitrary input light polarization. We study the material symmetry and explore the strength of the nonlinear generalized third-rank tensorial elements, which can be exploited to produce a high SHG response if the incoming light polarization is correctly selected. We found that the calculated SHG intensity profile aligns well with existing experimental data. Additionally, as the incoming light polarization varies, we observed a smooth shift in the SHG intensity peak along with changes in the number of peaks. These observations confirm the results from existing rotational anisotropy SHG experiments. In addition, we show how spatial dispersion can contribute to the total SHG intensity. Our work highlights the possibility of studying relatively complex structures, such as ABO<sub>3</sub>, with minimal fitting parameters due to the power of the effective bond vector structure, enabling the introduction of an effective SHG hyperpolarizability rather than a full evaluation of the irreducible SHG tensor by group theoretical analysis. Such a simplification may well lead to a better understanding of the nonlinear properties in these classes of material and, in turn, can improve our understanding of the photovoltaic performance in ABO<sub>3</sub> structures.https://www.mdpi.com/2072-666X/14/11/2063photovoltaic bond modelsecond harmonic generationarbitrary polarization
spellingShingle Hendradi Hardhienata
Indra Ramdhani
Husin Alatas
Salim Faci
Muhammad Danang Birowosuto
Investigating the Photovoltaic Performance in ABO<sub>3</sub> Structures via the Nonlinear Bond Model for an Arbitrary Incoming Light Polarization
Micromachines
photovoltaic bond model
second harmonic generation
arbitrary polarization
title Investigating the Photovoltaic Performance in ABO<sub>3</sub> Structures via the Nonlinear Bond Model for an Arbitrary Incoming Light Polarization
title_full Investigating the Photovoltaic Performance in ABO<sub>3</sub> Structures via the Nonlinear Bond Model for an Arbitrary Incoming Light Polarization
title_fullStr Investigating the Photovoltaic Performance in ABO<sub>3</sub> Structures via the Nonlinear Bond Model for an Arbitrary Incoming Light Polarization
title_full_unstemmed Investigating the Photovoltaic Performance in ABO<sub>3</sub> Structures via the Nonlinear Bond Model for an Arbitrary Incoming Light Polarization
title_short Investigating the Photovoltaic Performance in ABO<sub>3</sub> Structures via the Nonlinear Bond Model for an Arbitrary Incoming Light Polarization
title_sort investigating the photovoltaic performance in abo sub 3 sub structures via the nonlinear bond model for an arbitrary incoming light polarization
topic photovoltaic bond model
second harmonic generation
arbitrary polarization
url https://www.mdpi.com/2072-666X/14/11/2063
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