Supercell Band Calculations and Correlation for High-𝑇𝐶 Copper Oxide Superconductors
First principle band calculations based on local versions of density functional theory (DFT), together with results from nearly free-electron models, can describe many typical but unusual properties of the high-𝑇𝐶 copper oxides. The methods and a few of the most important results are reviewed. Some...
Saved in:
| Main Author: | |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Wiley
2010-01-01
|
| Series: | Advances in Condensed Matter Physics |
| Online Access: | http://dx.doi.org/10.1155/2010/912067 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1850120204181307392 |
|---|---|
| author | T. Jarlborg |
| author_facet | T. Jarlborg |
| author_sort | T. Jarlborg |
| collection | DOAJ |
| description | First principle band calculations based on local versions of density functional theory (DFT),
together with results from nearly free-electron models, can describe many typical but unusual properties
of the high-𝑇𝐶 copper oxides. The methods and a few of the most important results are
reviewed. Some additional calculations are presented, and the problems with the commonly used
approximate versions of DFT for oxides are discussed with a few ideas for corrections. It is concluded
that rather modest corrections to the approximate DFT, without particular assumptions
about strong correlation, can push the ground state towards antiferro magnetic (AFM) order. Spin
fluctuations interacting with phonons are crucial for the mechanism of superconductivity in this
scenario. |
| format | Article |
| id | doaj-art-68ac73f30cd2472d9ea321ec041b918b |
| institution | OA Journals |
| issn | 1687-8108 1687-8124 |
| language | English |
| publishDate | 2010-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Advances in Condensed Matter Physics |
| spelling | doaj-art-68ac73f30cd2472d9ea321ec041b918b2025-08-20T02:35:25ZengWileyAdvances in Condensed Matter Physics1687-81081687-81242010-01-01201010.1155/2010/912067912067Supercell Band Calculations and Correlation for High-𝑇𝐶 Copper Oxide SuperconductorsT. Jarlborg0DPMC, University of Geneva, 24 Quai Ernest-Ansermet, 1211 Geneva 4, SwitzerlandFirst principle band calculations based on local versions of density functional theory (DFT), together with results from nearly free-electron models, can describe many typical but unusual properties of the high-𝑇𝐶 copper oxides. The methods and a few of the most important results are reviewed. Some additional calculations are presented, and the problems with the commonly used approximate versions of DFT for oxides are discussed with a few ideas for corrections. It is concluded that rather modest corrections to the approximate DFT, without particular assumptions about strong correlation, can push the ground state towards antiferro magnetic (AFM) order. Spin fluctuations interacting with phonons are crucial for the mechanism of superconductivity in this scenario.http://dx.doi.org/10.1155/2010/912067 |
| spellingShingle | T. Jarlborg Supercell Band Calculations and Correlation for High-𝑇𝐶 Copper Oxide Superconductors Advances in Condensed Matter Physics |
| title | Supercell Band Calculations and Correlation for High-𝑇𝐶 Copper Oxide Superconductors |
| title_full | Supercell Band Calculations and Correlation for High-𝑇𝐶 Copper Oxide Superconductors |
| title_fullStr | Supercell Band Calculations and Correlation for High-𝑇𝐶 Copper Oxide Superconductors |
| title_full_unstemmed | Supercell Band Calculations and Correlation for High-𝑇𝐶 Copper Oxide Superconductors |
| title_short | Supercell Band Calculations and Correlation for High-𝑇𝐶 Copper Oxide Superconductors |
| title_sort | supercell band calculations and correlation for high 𝑇𝐶 copper oxide superconductors |
| url | http://dx.doi.org/10.1155/2010/912067 |
| work_keys_str_mv | AT tjarlborg supercellbandcalculationsandcorrelationforhightccopperoxidesuperconductors |