Phase-field modeling of coupled bulk photovoltaic effect and ferroelectric domain manipulation at ultrafast timescales
Abstract The bulk photovoltaic (BPV) effect, which generates steady photocurrents and above-bandgap photovoltages in non-centrosymmetric materials when exposed to light, holds great potential for advancing optoelectronic and photovoltaic technologies. However, its influence on the reconfiguration of...
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Nature Portfolio
2025-03-01
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| Series: | npj Computational Materials |
| Online Access: | https://doi.org/10.1038/s41524-025-01556-y |
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| author | Yi-De Liou Kena Zhang Ye Cao |
| author_facet | Yi-De Liou Kena Zhang Ye Cao |
| author_sort | Yi-De Liou |
| collection | DOAJ |
| description | Abstract The bulk photovoltaic (BPV) effect, which generates steady photocurrents and above-bandgap photovoltages in non-centrosymmetric materials when exposed to light, holds great potential for advancing optoelectronic and photovoltaic technologies. However, its influence on the reconfiguration of ferroelectric domain structure remains underexplored. In this study, we developed a phase-field model to understand the BPV effect in ferroelectric oxides. Our model reveals that variations in BPV currents across domains create opposing charges at domain walls, enhancing the electric field within domains to ~1000 kV/cm. The strong electric fields can reorient the ferroelectric polarization and enable ultrafast domain wall movements and nonvolatile domain switching on the picosecond scale. Applying anisotropic strain can further strengthen this effect, enabling more precise control of domain switching. Our findings advance the fundamental understanding of BPV effect in ferroelectrics, paving the ways for developing opto-ferroelectric memory technologies and high-efficiency photovoltaic applications via precise domain engineering. |
| format | Article |
| id | doaj-art-3f7120d9adfd4ae8b3f97d31fb115b99 |
| institution | DOAJ |
| issn | 2057-3960 |
| language | English |
| publishDate | 2025-03-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | npj Computational Materials |
| spelling | doaj-art-3f7120d9adfd4ae8b3f97d31fb115b992025-08-20T02:52:19ZengNature Portfolionpj Computational Materials2057-39602025-03-0111111310.1038/s41524-025-01556-yPhase-field modeling of coupled bulk photovoltaic effect and ferroelectric domain manipulation at ultrafast timescalesYi-De Liou0Kena Zhang1Ye Cao2Department of Materials Science and Engineering, The University of Texas at ArlingtonDepartment of Materials Science and Engineering, The University of Texas at ArlingtonDepartment of Materials Science and Engineering, The University of Texas at ArlingtonAbstract The bulk photovoltaic (BPV) effect, which generates steady photocurrents and above-bandgap photovoltages in non-centrosymmetric materials when exposed to light, holds great potential for advancing optoelectronic and photovoltaic technologies. However, its influence on the reconfiguration of ferroelectric domain structure remains underexplored. In this study, we developed a phase-field model to understand the BPV effect in ferroelectric oxides. Our model reveals that variations in BPV currents across domains create opposing charges at domain walls, enhancing the electric field within domains to ~1000 kV/cm. The strong electric fields can reorient the ferroelectric polarization and enable ultrafast domain wall movements and nonvolatile domain switching on the picosecond scale. Applying anisotropic strain can further strengthen this effect, enabling more precise control of domain switching. Our findings advance the fundamental understanding of BPV effect in ferroelectrics, paving the ways for developing opto-ferroelectric memory technologies and high-efficiency photovoltaic applications via precise domain engineering.https://doi.org/10.1038/s41524-025-01556-y |
| spellingShingle | Yi-De Liou Kena Zhang Ye Cao Phase-field modeling of coupled bulk photovoltaic effect and ferroelectric domain manipulation at ultrafast timescales npj Computational Materials |
| title | Phase-field modeling of coupled bulk photovoltaic effect and ferroelectric domain manipulation at ultrafast timescales |
| title_full | Phase-field modeling of coupled bulk photovoltaic effect and ferroelectric domain manipulation at ultrafast timescales |
| title_fullStr | Phase-field modeling of coupled bulk photovoltaic effect and ferroelectric domain manipulation at ultrafast timescales |
| title_full_unstemmed | Phase-field modeling of coupled bulk photovoltaic effect and ferroelectric domain manipulation at ultrafast timescales |
| title_short | Phase-field modeling of coupled bulk photovoltaic effect and ferroelectric domain manipulation at ultrafast timescales |
| title_sort | phase field modeling of coupled bulk photovoltaic effect and ferroelectric domain manipulation at ultrafast timescales |
| url | https://doi.org/10.1038/s41524-025-01556-y |
| work_keys_str_mv | AT yideliou phasefieldmodelingofcoupledbulkphotovoltaiceffectandferroelectricdomainmanipulationatultrafasttimescales AT kenazhang phasefieldmodelingofcoupledbulkphotovoltaiceffectandferroelectricdomainmanipulationatultrafasttimescales AT yecao phasefieldmodelingofcoupledbulkphotovoltaiceffectandferroelectricdomainmanipulationatultrafasttimescales |