[ ] [Image] [ ] Volume: Page/Article: ------------------------------------------------------------------------ Article Collection: View Collection Help (Click on the [Check Box] to add an article.) ------------------------------------------------------------------------ Phys. Rev. B 45, 13272–13284 (1992) [Issue 23 – 15 June 1992 ] [ Previous article | Next article | Issue 23 contents ] [Add to article collection] View Page Images or PDF (2374 kB) ------------------------------------------------------------------------ Quasiparticle properties of Fe, Co, and Ni M. M. Steiner Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 Department of Physics, University of California at San Diego, La Jolla, California 92093-0319 R. C. Albers Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 L. J. Sham Center for Materials Science, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 Department of Physics, University of California at San Diego, La Jolla, California 92093-0319 Received 6 December 1991 For narrow electronic bands in metals, we seek improvement over the local-density approximation (LDA) by including the on-site Coulomb interaction between localized electrons. For the 3d ferromagnetic series of Fe, Co, and Ni, by treating fluctuations to second order in the on-site interaction around the LDA solution, in comparison with experiment a distinct improvement over the conventional LDA is obtained for a number of properties: effective masses, x-ray photoemission spectra, and results derived from angle-resolved photoemission spectra, such as exchange splittings and quasiparticle bands. In addition, the predicted quasiparticle broadenings and satellite features, which are not present in standard LDA calculations, are in reasonable agreement with observation. ©1992 The American Physical Society URL: http://link.aps.org/abstract/PRB/v45/p13272 DOI: 10.1103/PhysRevB.45.13272 PACS: 75.50.Bb, 71.28.+d, 71.25.Jd ------------------------------------------------------------------------ [Add to article collection] View Page Images or PDF (2374 kB) [ Previous article | Next article | Issue 23 contents ] ------------------------------------------------------------------------ References (Reference links marked with [dot] may require a separate subscription.) 1. M. M. Steiner, R. C. Albers, D. J. Scalapino and L. J. Sham, Phys. Rev. B 43, 1637 (1991). 2. P. C. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964); W. Kohn and L. J. Sham, 140, A1133 (1965); and, 145, 561 (1966). 3. K. B. Hathaway, H. J. F. Jansen and A. J. Freeman, Phys. Rev. B 31, 7603 (1985). 4. C. S. Wang and J. 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