Self-energy and spectral function of Ce within the GW approximation
(2012) In Physical Review B (Condensed Matter and Materials Physics) 86(24).- Abstract
- To investigate how far the GW approximation can treat systems with strong on-site correlations, we perform calculations of the self-energies and spectral functions of alpha-and gamma-Ce within the GW approximation. For this strongly correlated material, the screened interaction exhibits a complex and rich structure which is attributed to strong particle-hole transitions involving localized 4f states. This structure in the screened interaction is carried over to the self-energy, which in turn yields spectral functions with multiple peaks. A satellite at around 5 eV above the Fermi level is formed, which is reminiscent of the experimentally observed upper Hubbard band, while the experimentally observed peak structure below the Fermi level at... (More)
- To investigate how far the GW approximation can treat systems with strong on-site correlations, we perform calculations of the self-energies and spectral functions of alpha-and gamma-Ce within the GW approximation. For this strongly correlated material, the screened interaction exhibits a complex and rich structure which is attributed to strong particle-hole transitions involving localized 4f states. This structure in the screened interaction is carried over to the self-energy, which in turn yields spectral functions with multiple peaks. A satellite at around 5 eV above the Fermi level is formed, which is reminiscent of the experimentally observed upper Hubbard band, while the experimentally observed peak structure below the Fermi level at -2 eV and disappearance of the quasiparticle peak in the. phase are not reproduced. DOI: 10.1103/PhysRevB.86.245126 (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/3507054
- author
- Sakuma, Rei LU ; Miyake, T. and Aryasetiawan, Ferdi LU
- organization
- publishing date
- 2012
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Physical Review B (Condensed Matter and Materials Physics)
- volume
- 86
- issue
- 24
- article number
- 245126
- publisher
- American Physical Society
- external identifiers
-
- wos:000312833400005
- scopus:84871761697
- ISSN
- 1098-0121
- DOI
- 10.1103/PhysRevB.86.245126
- language
- English
- LU publication?
- yes
- id
- 67434572-ed35-4cf8-9321-714e5b3a1b17 (old id 3507054)
- date added to LUP
- 2016-04-01 13:28:24
- date last changed
- 2022-01-27 19:25:21
@article{67434572-ed35-4cf8-9321-714e5b3a1b17, abstract = {{To investigate how far the GW approximation can treat systems with strong on-site correlations, we perform calculations of the self-energies and spectral functions of alpha-and gamma-Ce within the GW approximation. For this strongly correlated material, the screened interaction exhibits a complex and rich structure which is attributed to strong particle-hole transitions involving localized 4f states. This structure in the screened interaction is carried over to the self-energy, which in turn yields spectral functions with multiple peaks. A satellite at around 5 eV above the Fermi level is formed, which is reminiscent of the experimentally observed upper Hubbard band, while the experimentally observed peak structure below the Fermi level at -2 eV and disappearance of the quasiparticle peak in the. phase are not reproduced. DOI: 10.1103/PhysRevB.86.245126}}, author = {{Sakuma, Rei and Miyake, T. and Aryasetiawan, Ferdi}}, issn = {{1098-0121}}, language = {{eng}}, number = {{24}}, publisher = {{American Physical Society}}, series = {{Physical Review B (Condensed Matter and Materials Physics)}}, title = {{Self-energy and spectral function of Ce within the GW approximation}}, url = {{http://dx.doi.org/10.1103/PhysRevB.86.245126}}, doi = {{10.1103/PhysRevB.86.245126}}, volume = {{86}}, year = {{2012}}, }