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1.	Lundqvist, Bengt, 1938, et al. (author) Density-functional bridge between surfaces and interfaces 2001 In: Surface Science. ; 493, s. 253-270 Journal article (peer-reviewed)
2.	Skorodumova, N. V., et al. (author) Electronic, bonding, and optical properties of CeO2 and Ce2O3 from first principles 2001 In: Physical Review B Condensed Matter. - 0163-1829 .- 1095-3795. ; 64:11 Journal article (peer-reviewed)abstract First-principles electronic structure calculations of cerium oxide in two forms, CeO2 and Ce2O3, are Presented. The 4f state of Ce is treated as a part of the inner core in Ce2O3 and as a valence-band-like state in CeO2,. The calculated ground-state and magnetic properties of the Ce (III) oxide are shown to be in agreement with available experimental data as well as the calculated ground-state and optical properties of Ce (IV) dioxide. The nature of the bonding in cerium oxide is discussed on the basis of an analysis of the charge-density and electron localization function distributions and described as a polarized ionic bond in both oxides.
3.	Skorodumova, N.V., et al. (author) Electronic, bonding, and optical properties of CeO2 and Ce2O3 from first principles 2001 In: PHYSICAL REVIEW B. ; 64, s. 115108- Journal article (peer-reviewed)
4.	Skorodumova, Natalia V., et al. (author) Electronic, bonding, and optical properties of CeO2 and Ce2O3 from first principles - art. no. 115108 2001 In: PHYSICAL REVIEW B. - : AMERICAN PHYSICAL SOC. - 0163-1829. ; 6411:11, s. 5108-+ Language: English Journal article (peer-reviewed)abstract First-principles electronic structure calculations of cerium oxide in two forms, CeO2 and Ce2O3, are Presented. The 4f state of Ce is treated as a part of the inner core in Ce2O3 and as a valence-band-like state in CeO2,. The calculated ground-state and m

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Type of publication: journal article (4)

Type of content: peer-reviewed (4)

Author/Editor: Johansson, Börje (2); Ahuja, Rajeev (2); Skorodumova, N. V. (2); Lundqvist, Bengt, 19 ... (2); Simak, Sergei, 1967 (2); et al., (1); show more...; Abrikosov, I. A. (1); Simak, S. I. (1); Abrikosov, IA (1); Simak, SI (1); Razaznejad, Behrooz, ... (1); Wahnström, Göran, 19 ... (1); Ahuja, R (1); Skorodumova, Natalia ... (1); Hyldgaard, Per, 1964 (1); Schröder, Elsebeth, ... (1); Gao, Shiwu, 1963 (1); Bogicevic, Alexander ... (1); Ruberto, Carlo, 1970 (1); Carling, Karin M., 1 ... (1); Langreth, D.C. (1); Rydberg, Henrik, 196 ... (1); Dudiy, Sergey V. (1); Hartford, Jan, 1966 (1); Lundqvist, BI (1); Jacobson, Niclas, 19 ... (1); Ovesson, Staffan, 19 ... (1); Lorente, N. (1); Yourdshahyan, Yashar ... (1); Lundqvist, B. I. (1); show less...

University: Chalmers University of Technology (2); Royal Institute of Technology (1); Uppsala University (1)

Language: English (4)

Research subject (UKÄ/SCB): Natural sciences (3)

Year: 2001 (4)Undo refine

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