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Effects of momentum-dependent self-energy in the electronic structure of correlated materials

Miyake, T. ; Martins, C. ; Sakuma, Rei LU and Aryasetiawan, Ferdi LU (2013) In Physical Review B (Condensed Matter and Materials Physics) 87(11).
Abstract
We study how the k dependence in the self-energy affects the quasiparticle band structure and one-particle spectral functions. It is known that, in electron-gas-like materials, the self-energy depends significantly on k and there is a strong cancellation between the k dependence and the energy dependence of the self-energy. Analysis of the GW self-energy reveals that, even in correlated materials with narrow bands, such as SrVO3, the self-energy significantly depends on k. When the nonlocal effect is neglected, the quasiparticle band structure is over-renormalized, yielding too large mass enhancement compared to the case of k-dependent self-energy. The present result suggests that partial cancellation between the frequency dependence and... (More)
We study how the k dependence in the self-energy affects the quasiparticle band structure and one-particle spectral functions. It is known that, in electron-gas-like materials, the self-energy depends significantly on k and there is a strong cancellation between the k dependence and the energy dependence of the self-energy. Analysis of the GW self-energy reveals that, even in correlated materials with narrow bands, such as SrVO3, the self-energy significantly depends on k. When the nonlocal effect is neglected, the quasiparticle band structure is over-renormalized, yielding too large mass enhancement compared to the case of k-dependent self-energy. The present result suggests that partial cancellation between the frequency dependence and the k dependence in the self-energy is important when discussing the quasiparticle band structure of correlated materials. DOI: 10.1103/PhysRevB.87.115110 (Less)
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author
; ; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Physical Review B (Condensed Matter and Materials Physics)
volume
87
issue
11
article number
115110
publisher
American Physical Society
external identifiers
  • wos:000315732100003
  • scopus:84874892901
ISSN
1098-0121
DOI
10.1103/PhysRevB.87.115110
language
English
LU publication?
yes
id
370dd583-181a-4ddd-94bd-efa13db618a6 (old id 3651276)
date added to LUP
2016-04-01 13:19:58
date last changed
2022-03-06 05:15:17
@article{370dd583-181a-4ddd-94bd-efa13db618a6,
  abstract     = {{We study how the k dependence in the self-energy affects the quasiparticle band structure and one-particle spectral functions. It is known that, in electron-gas-like materials, the self-energy depends significantly on k and there is a strong cancellation between the k dependence and the energy dependence of the self-energy. Analysis of the GW self-energy reveals that, even in correlated materials with narrow bands, such as SrVO3, the self-energy significantly depends on k. When the nonlocal effect is neglected, the quasiparticle band structure is over-renormalized, yielding too large mass enhancement compared to the case of k-dependent self-energy. The present result suggests that partial cancellation between the frequency dependence and the k dependence in the self-energy is important when discussing the quasiparticle band structure of correlated materials. DOI: 10.1103/PhysRevB.87.115110}},
  author       = {{Miyake, T. and Martins, C. and Sakuma, Rei and Aryasetiawan, Ferdi}},
  issn         = {{1098-0121}},
  language     = {{eng}},
  number       = {{11}},
  publisher    = {{American Physical Society}},
  series       = {{Physical Review B (Condensed Matter and Materials Physics)}},
  title        = {{Effects of momentum-dependent self-energy in the electronic structure of correlated materials}},
  url          = {{http://dx.doi.org/10.1103/PhysRevB.87.115110}},
  doi          = {{10.1103/PhysRevB.87.115110}},
  volume       = {{87}},
  year         = {{2013}},
}