onr:"swepub:oai:lup.lub.lu.se:0f6766da-c322-45ef-9f10-919b622562f1"
Search: onr:"swepub:oai:lup.lub.lu.se:0f6766da-c322-45ef-9f10-919b622562f1" > Ab initio study of ...
- 1 of 1
- Previous record
- Next record
- To hitlist
| Fältnamn | Indikatorer | Metadata |
|---|---|---|
| 000 | 03528naa a2200313 4500 | |
| 001 | oai:lup.lub.lu.se:0f6766da-c322-45ef-9f10-919b622562f1 | |
| 003 | SwePub | |
| 008 | 160401s2014 | |||||||||||000 ||eng| | |
| 024 | 7 | a https://lup.lub.lu.se/record/46057752 URI |
| 024 | 7 | a https://doi.org/10.1103/PhysRevB.89.2351192 DOI |
| 040 | a (SwePub)lu | |
| 041 | a engb eng | |
| 042 | 9 SwePub | |
| 072 | 7 | a art2 swepub-publicationtype |
| 072 | 7 | a ref2 swepub-contenttype |
| 100 | 1 | a Sakuma, Reiu Lund University,Lunds universitet,Matematisk fysik,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Mathematical Physics,Department of Physics,Departments at LTH,Faculty of Engineering, LTH4 aut0 (Swepub:lu)teor-res |
| 245 | 1 0 | a Ab initio study of the downfolded self-energy for correlated systems: Momentum dependence and effects of dynamical screening |
| 264 | 1 | c 2014 |
| 520 | a The electronic structure of strongly correlated systems is usually calculated by using an effective model Hamiltonian with a small number of states and an effective on-site interaction. The mode, however, neglects the frequency dependence of the interaction, which emerges as a result of dynamical screening processes not included in the model. The self-energy calculated in this kind of model within dynamical mean-field theory (DMFT) is usually assumed to contain on-site components only. To study the validity of model calculations for the simulation of realistic materials, we make a detailed comparison between the downfolded self-energy in a model Hamiltonian with static and dynamic on-site interaction and the full ab initio self-energy for Fe and SrVO3 within the GW approximation. We find that the model GW self-energy shows weaker k (momentum) dependence than the ab initio GW self-energy, which is attributed to the lack of the long-range interaction and of contributions from other electrons not included in the models. This weak k dependence is found to lead to an artificial narrowing of the quasiparticle band structure. Moreover, this band narrowing is stronger for the dynamic (frequency-dependent) interaction, due to a larger renormalization of the quasiparticle states. These findings indicate a crucial role of the k dependence of the self-energy and dynamical screening for the electronic structure of correlated systems. We also discuss the effects beyond the GW approximation for correlated systems by comparing the GW and DMFT results. | |
| 650 | 7 | a NATURVETENSKAPx Fysikx Den kondenserade materiens fysik0 (SwePub)103042 hsv//swe |
| 650 | 7 | a NATURAL SCIENCESx Physical Sciencesx Condensed Matter Physics0 (SwePub)103042 hsv//eng |
| 700 | 1 | a Martins, C.u École Polytechnique,National Institute of Advanced Industrial Science and Technology (AIST),CEA Dam Ile-de France (DIF)4 aut |
| 700 | 1 | a Miyake, T.u National Institute of Advanced Industrial Science and Technology (AIST)4 aut |
| 700 | 1 | a Aryasetiawan, Ferdiu Lund University,Lunds universitet,Matematisk fysik,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Mathematical Physics,Department of Physics,Departments at LTH,Faculty of Engineering, LTH4 aut0 (Swepub:lu)teor-fan |
| 710 | 2 | a Matematisk fysikb Fysiska institutionen4 org |
| 773 | 0 | t Physical Review B (Condensed Matter and Materials Physics)g 89:23q 89:23x 1098-0121 |
| 856 | 4 | u http://dx.doi.org/10.1103/PhysRevB.89.235119y FULLTEXT |
| 856 | 4 8 | u https://lup.lub.lu.se/record/4605775 |
| 856 | 4 8 | u https://doi.org/10.1103/PhysRevB.89.235119 |
Find in a library
- Physical Review B (Condensed Matter and Materials Physics) (Search for host publication in LIBRIS)
To the university's database
- 1 of 1
- Previous record
- Next record
- To hitlist
Find more in SwePub
- By the author/editor
- Sakuma, Rei
- Martins, C.
- Miyake, T.
- Aryasetiawan, Fe ...
- About the subject
-
- NATURAL SCIENCES
- NATURAL SCIENCES
- and Physical Science ...
- and Condensed Matter ...
- Articles in the publication
- Physical Review ...
- By the university
- Lund University
Search outside SwePub
- Extend your search to:
- Google Book Search
- Google Scholar
Kungliga biblioteket hanterar dina personuppgifter i enlighet med EU:s dataskyddsförordning (2018), GDPR. Läs mer om hur det funkar här.
Så här hanterar KB dina uppgifter vid användning av denna tjänst.
- Copyright © LIBRIS - National Library Systems
- LIBRIS.kb.se
