Electronic structure of SrVO3 within GW plus DMFT
(2013) In Physical Review B (Condensed Matter and Materials Physics) 88(23).- Abstract
- We present a detailed calculation of the electronic structure of SrVO3 based on the GW + DMFT method. We show that a proper inclusion of the frequency-dependent Hubbard U and the nonlocal self-energy via the GW approximation, as well as a careful treatment of the Fermi level, are crucial for obtaining an accurate and coherent picture of the quasiparticle band structure and satellite features of SrVO3. The GW + DMFT results for SrVO3 are not attainable within the GW approximation or the LDA + DMFT scheme. We also compare the results of GW + DMFT to DMFT calculations based on the GW quasiparticle bands.
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/4265884
- author
- Sakuma, Rei LU ; Werner, Ph and Aryasetiawan, Ferdi LU
- organization
- publishing date
- 2013
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Physical Review B (Condensed Matter and Materials Physics)
- volume
- 88
- issue
- 23
- article number
- 235110
- publisher
- American Physical Society
- external identifiers
-
- wos:000328678200002
- scopus:84890596402
- ISSN
- 1098-0121
- DOI
- 10.1103/PhysRevB.88.235110
- language
- English
- LU publication?
- yes
- id
- 1acd5b11-170d-4f6a-ad50-2480d3f5354f (old id 4265884)
- date added to LUP
- 2016-04-01 13:19:23
- date last changed
- 2022-04-21 20:57:36
@article{1acd5b11-170d-4f6a-ad50-2480d3f5354f, abstract = {{We present a detailed calculation of the electronic structure of SrVO3 based on the GW + DMFT method. We show that a proper inclusion of the frequency-dependent Hubbard U and the nonlocal self-energy via the GW approximation, as well as a careful treatment of the Fermi level, are crucial for obtaining an accurate and coherent picture of the quasiparticle band structure and satellite features of SrVO3. The GW + DMFT results for SrVO3 are not attainable within the GW approximation or the LDA + DMFT scheme. We also compare the results of GW + DMFT to DMFT calculations based on the GW quasiparticle bands.}}, author = {{Sakuma, Rei and Werner, Ph and Aryasetiawan, Ferdi}}, issn = {{1098-0121}}, language = {{eng}}, number = {{23}}, publisher = {{American Physical Society}}, series = {{Physical Review B (Condensed Matter and Materials Physics)}}, title = {{Electronic structure of SrVO3 within GW plus DMFT}}, url = {{http://dx.doi.org/10.1103/PhysRevB.88.235110}}, doi = {{10.1103/PhysRevB.88.235110}}, volume = {{88}}, year = {{2013}}, }