guest ::
| Home > Publications database > Cooperation of Many-Body Physics and Defect Chemistry in Transition-Metal Oxides > print |
| Home > Publications database > Cooperation of Many-Body Physics and Defect Chemistry in Transition-Metal Oxides > print |
| 001 | 874369 | ||
| 005 | 20210130004647.0 | ||
| 024 | 7 | _ | |a 2128/24488 |2 Handle |
| 037 | _ | _ | |a FZJ-2020-01392 |
| 041 | _ | _ | |a English |
| 100 | 1 | _ | |a Lechermann, Frank |0 P:(DE-HGF)0 |b 0 |e Corresponding author |
| 111 | 2 | _ | |a NIC Symposium 2020 |c Jülich |d 2020-02-27 - 2020-02-28 |w Germany |
| 245 | _ | _ | |a Cooperation of Many-Body Physics and Defect Chemistry in Transition-Metal Oxides |
| 260 | _ | _ | |a Jülich |c 2020 |b Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag |
| 295 | 1 | 0 | |a NIC Symposium 2020 |
| 300 | _ | _ | |a 93 - 100 |
| 336 | 7 | _ | |a CONFERENCE_PAPER |2 ORCID |
| 336 | 7 | _ | |a Conference Paper |0 33 |2 EndNote |
| 336 | 7 | _ | |a INPROCEEDINGS |2 BibTeX |
| 336 | 7 | _ | |a conferenceObject |2 DRIVER |
| 336 | 7 | _ | |a Output Types/Conference Paper |2 DataCite |
| 336 | 7 | _ | |a Contribution to a conference proceedings |b contrib |m contrib |0 PUB:(DE-HGF)8 |s 1583842813_2514 |2 PUB:(DE-HGF) |
| 336 | 7 | _ | |a Contribution to a book |0 PUB:(DE-HGF)7 |2 PUB:(DE-HGF) |m contb |
| 490 | 0 | _ | |a Publication Series of the John von Neumann Institute for Computing (NIC) NIC Series |v 50 |
| 520 | _ | _ | |a The problem of defects in correlated materials is at the heart of the fascinating phenomenology of many of these compounds. A vast number of prominent features of strongly correlated systems, such as e. g. high-temperature superconductivity in cuprates and iron pnictides, or heavy-fermion physics in Ce-based compounds is often directly associated with a defect-crystal state. Already the very concept of a doped Mott-insulator builds up on the understanding of impurities implanted in an otherwise perfect crystal lattice. However, a deeper understanding of the realistic physics is then connected to a faithful description of the defect chemistry underlying the material under consideration. We here show that the combination of density functional theory (DFT) with dynamical mean-field theory (DMFT) provides a proper tool to elucidate this realistic interplay between many-body physics and defect chemistry. Focus is on transition-metal oxides which are well known to harbour diverse manifestations of electronic correlations. Two prominent concrete examples, the paramagnetic metal-to-insulator transition in V$_{2}$O$_{3}$ driven by chromium doping, and the long-standing issue of lithium-doped NiO will be addressed in some detail. |
| 536 | _ | _ | |a 899 - ohne Topic (POF3-899) |0 G:(DE-HGF)POF3-899 |c POF3-899 |f POF III |x 0 |
| 787 | 0 | _ | |i IsPartOf |0 FZJ-2020-01353 |
| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/874369/files/NIC_2020_Lechermann.pdf |y OpenAccess |
| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/874369/files/NIC_2020_Lechermann.pdf?subformat=pdfa |x pdfa |y OpenAccess |
| 909 | C | O | |o oai:juser.fz-juelich.de:874369 |p openaire |p open_access |p VDB |p driver |p dnbdelivery |
| 913 | 1 | _ | |a DE-HGF |b Programmungebundene Forschung |l ohne Programm |1 G:(DE-HGF)POF3-890 |0 G:(DE-HGF)POF3-899 |2 G:(DE-HGF)POF3-800 |v ohne Topic |x 0 |4 G:(DE-HGF)POF |3 G:(DE-HGF)POF3 |
| 914 | 1 | _ | |y 2020 |
| 915 | _ | _ | |a OpenAccess |0 StatID:(DE-HGF)0510 |2 StatID |
| 915 | _ | _ | |a Creative Commons Attribution CC BY 4.0 |0 LIC:(DE-HGF)CCBY4 |2 HGFVOC |
| 920 | _ | _ | |l yes |
| 920 | 1 | _ | |0 I:(DE-Juel1)NIC-20090406 |k NIC |l John von Neumann - Institut für Computing |x 0 |
| 980 | _ | _ | |a contrib |
| 980 | _ | _ | |a VDB |
| 980 | _ | _ | |a contb |
| 980 | _ | _ | |a I:(DE-Juel1)NIC-20090406 |
| 980 | _ | _ | |a UNRESTRICTED |
| 980 | 1 | _ | |a FullTexts |
| Library | Collection | CLSMajor | CLSMinor | Language | Author |
|---|