Turning reduced density matrix theory into a practical tool for studying the Mott transition
Strongly correlated systems pose a challenge for theoretical methods based on an independent electron approximation. Such methods struggle to predict a nonzero gap in Mott insulators or to capture the correct physics of the insulator-to-metal phase transition in strongly correlated materials. In a r...
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| Format: | Article |
| Language: | English |
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IOP Publishing
2015-01-01
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| Series: | New Journal of Physics |
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| Online Access: | https://doi.org/10.1088/1367-2630/17/11/111001 |
| _version_ | 1797751132149252096 |
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| author | Katarzyna Pernal |
| author_facet | Katarzyna Pernal |
| author_sort | Katarzyna Pernal |
| collection | DOAJ |
| description | Strongly correlated systems pose a challenge for theoretical methods based on an independent electron approximation. Such methods struggle to predict a nonzero gap in Mott insulators or to capture the correct physics of the insulator-to-metal phase transition in strongly correlated materials. In a recent paper by Shinohara et al (2015 New J. Phys. http://dx.doi.org/10.1088/1367-2630/17/9/093038 17 http://dx.doi.org/10.1088/1367-2630/17/9/093038 ) it is shown that strongly correlated materials and correct descriptions of their phase transitions are within the reach of reduced density matrix functional theory (RDMFT) approximations. For a doping-induced phase transition, not only is a satisfactory agreement with experimental spectra found for NiO but it is also shown that the physical picture of the observed Mott transition stays in line with more computationally demanding many-body theories. This is an important step toward providing an RDMFT–based computation tool for studying strongly correlated materials. |
| first_indexed | 2024-03-12T16:42:59Z |
| format | Article |
| id | doaj.art-e1800fdf59df4df8a62c2cc6088f7681 |
| institution | Directory Open Access Journal |
| issn | 1367-2630 |
| language | English |
| last_indexed | 2024-03-12T16:42:59Z |
| publishDate | 2015-01-01 |
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| record_format | Article |
| series | New Journal of Physics |
| spelling | doaj.art-e1800fdf59df4df8a62c2cc6088f76812023-08-08T14:22:05ZengIOP PublishingNew Journal of Physics1367-26302015-01-01171111100110.1088/1367-2630/17/11/111001Turning reduced density matrix theory into a practical tool for studying the Mott transitionKatarzyna Pernal0Institute of Physics , Lodz University of Technology, ul. Wolczanska 219, 90-924 Lodz, PolandStrongly correlated systems pose a challenge for theoretical methods based on an independent electron approximation. Such methods struggle to predict a nonzero gap in Mott insulators or to capture the correct physics of the insulator-to-metal phase transition in strongly correlated materials. In a recent paper by Shinohara et al (2015 New J. Phys. http://dx.doi.org/10.1088/1367-2630/17/9/093038 17 http://dx.doi.org/10.1088/1367-2630/17/9/093038 ) it is shown that strongly correlated materials and correct descriptions of their phase transitions are within the reach of reduced density matrix functional theory (RDMFT) approximations. For a doping-induced phase transition, not only is a satisfactory agreement with experimental spectra found for NiO but it is also shown that the physical picture of the observed Mott transition stays in line with more computationally demanding many-body theories. This is an important step toward providing an RDMFT–based computation tool for studying strongly correlated materials.https://doi.org/10.1088/1367-2630/17/11/111001reduced density matrix functional theorystrongly correlated systemsMott transition |
| spellingShingle | Katarzyna Pernal Turning reduced density matrix theory into a practical tool for studying the Mott transition New Journal of Physics reduced density matrix functional theory strongly correlated systems Mott transition |
| title | Turning reduced density matrix theory into a practical tool for studying the Mott transition |
| title_full | Turning reduced density matrix theory into a practical tool for studying the Mott transition |
| title_fullStr | Turning reduced density matrix theory into a practical tool for studying the Mott transition |
| title_full_unstemmed | Turning reduced density matrix theory into a practical tool for studying the Mott transition |
| title_short | Turning reduced density matrix theory into a practical tool for studying the Mott transition |
| title_sort | turning reduced density matrix theory into a practical tool for studying the mott transition |
| topic | reduced density matrix functional theory strongly correlated systems Mott transition |
| url | https://doi.org/10.1088/1367-2630/17/11/111001 |
| work_keys_str_mv | AT katarzynapernal turningreduceddensitymatrixtheoryintoapracticaltoolforstudyingthemotttransition |