Studies of perovskite materials for high-performance storage media, piezoelectric, and solar energy conversion devices
Perovskite materials are crucial in a variety of important technological applications. Using quantum-mechanical simulations and accurate molecular dynamics models, we have computationally investigated ferroelectric materials for applications in computer memory, piezoelectrics and photovoltaics. By t...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | en_US |
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Institute of Electrical and Electronics Engineers (IEEE)
2012
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| Online Access: | http://hdl.handle.net/1721.1/73556 https://orcid.org/0000-0001-7804-5418 |
| _version_ | 1811086792230699008 |
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| author | Nelson, Keith Adam Yeh, Ka-Lo Bennett, Joseph W. Grinberg, Ilya Qi, Tingting Rappe, Andrew M. Shin, Young-Han |
| author2 | Massachusetts Institute of Technology. Department of Chemistry |
| author_facet | Massachusetts Institute of Technology. Department of Chemistry Nelson, Keith Adam Yeh, Ka-Lo Bennett, Joseph W. Grinberg, Ilya Qi, Tingting Rappe, Andrew M. Shin, Young-Han |
| author_sort | Nelson, Keith Adam |
| collection | MIT |
| description | Perovskite materials are crucial in a variety of important technological applications. Using quantum-mechanical simulations and accurate molecular dynamics models, we have computationally investigated ferroelectric materials for applications in computer memory, piezoelectrics and photovoltaics. By tuning the applied electric pulses' shaping and delay separation, we find the lower limit for tetragonal PbTiO[subscript 3] polarization switching time period is on the scale of 10 pico seconds. Structural and electronic properties of a semiconductor non-oxide perovskite BaZrS[subscript 3] are investigated in detail. We also microscopically model relax or behavior demonstrated by the next generation piezoelectric devices, not only reproducing dielectric response but also revealing the significance of local crystal chemistry. |
| first_indexed | 2024-09-23T13:34:48Z |
| format | Article |
| id | mit-1721.1/73556 |
| institution | Massachusetts Institute of Technology |
| language | en_US |
| last_indexed | 2024-09-23T13:34:48Z |
| publishDate | 2012 |
| publisher | Institute of Electrical and Electronics Engineers (IEEE) |
| record_format | dspace |
| spelling | mit-1721.1/735562022-09-28T14:47:57Z Studies of perovskite materials for high-performance storage media, piezoelectric, and solar energy conversion devices Nelson, Keith Adam Yeh, Ka-Lo Bennett, Joseph W. Grinberg, Ilya Qi, Tingting Rappe, Andrew M. Shin, Young-Han Massachusetts Institute of Technology. Department of Chemistry Nelson, Keith Adam Yeh, Ka-Lo Perovskite materials are crucial in a variety of important technological applications. Using quantum-mechanical simulations and accurate molecular dynamics models, we have computationally investigated ferroelectric materials for applications in computer memory, piezoelectrics and photovoltaics. By tuning the applied electric pulses' shaping and delay separation, we find the lower limit for tetragonal PbTiO[subscript 3] polarization switching time period is on the scale of 10 pico seconds. Structural and electronic properties of a semiconductor non-oxide perovskite BaZrS[subscript 3] are investigated in detail. We also microscopically model relax or behavior demonstrated by the next generation piezoelectric devices, not only reproducing dielectric response but also revealing the significance of local crystal chemistry. National Science Foundation (U.S.) (grant no. CHE06-16939) National Science Foundation (U.S.). Materials Research Science and Engineering Centers (Program) (grant no. DMR05-20020) United States. Dept. of Energy. Office of Basic Energy Sciences (grant no. DE-FG02-07ER46431) United States. Office of Naval Research (grant N00014-06-1-0459) United States. Office of Naval Research (grant N00014-09-1-0157) United States. Office of Naval Research (grant N00014-07-1-0409) 2012-10-03T13:15:34Z 2012-10-03T13:15:34Z 2011-09 2010-06 Article http://purl.org/eprint/type/ConferencePaper 978-1-61284-986-7 http://hdl.handle.net/1721.1/73556 Qi, Tingting et al. “Studies of Perovskite Materials for High-Performance Storage Media, Piezoelectric, and Solar Energy Conversion Devices.” IEEE, 2010. 249–258. © 2010 IEEE. https://orcid.org/0000-0001-7804-5418 en_US http://dx.doi.org/10.1109/HPCMP-UGC.2010.19 Proceedings of the Department of Defense High Performance Computing Modernization Program Users Group Conference, 2010 Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use. application/pdf Institute of Electrical and Electronics Engineers (IEEE) IEEE |
| spellingShingle | Nelson, Keith Adam Yeh, Ka-Lo Bennett, Joseph W. Grinberg, Ilya Qi, Tingting Rappe, Andrew M. Shin, Young-Han Studies of perovskite materials for high-performance storage media, piezoelectric, and solar energy conversion devices |
| title | Studies of perovskite materials for high-performance storage media, piezoelectric, and solar energy conversion devices |
| title_full | Studies of perovskite materials for high-performance storage media, piezoelectric, and solar energy conversion devices |
| title_fullStr | Studies of perovskite materials for high-performance storage media, piezoelectric, and solar energy conversion devices |
| title_full_unstemmed | Studies of perovskite materials for high-performance storage media, piezoelectric, and solar energy conversion devices |
| title_short | Studies of perovskite materials for high-performance storage media, piezoelectric, and solar energy conversion devices |
| title_sort | studies of perovskite materials for high performance storage media piezoelectric and solar energy conversion devices |
| url | http://hdl.handle.net/1721.1/73556 https://orcid.org/0000-0001-7804-5418 |
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