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- Sandell, A, et al.
(författare)
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Bonding of an isolated K atom to a surface: Experiment and theory
- 1997
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Ingår i: PHYSICAL REVIEW LETTERS. - : AMER INST PHYSICS. - 0031-9007. ; 78:26, s. 4994-4997
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Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)abstract
- We present a new and general technique with which the local properties of the unoccupied states of an adsorbed alkali atom in the low coverage limit can be studied. The method, based on a combination of experimental core level spectroscopy data and calcul
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| 5. |
- Temmerman, WM, et al.
(författare)
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Electronic configuration of Yb compounds
- 1999
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Ingår i: PHYSICAL REVIEW LETTERS. - : AMERICAN PHYSICAL SOC. - 0031-9007. ; 83:19, s. 3900-3903
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Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)abstract
- The total energy differences between divalent and trivalent configurations of Yb ions in a number of Yb compounds are studied. Two different band theoretical methods, which differ in the treatment of the localized f electrons, are used. The results show t
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| 6. |
- Delin, A, et al.
(författare)
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Calculated magneto-optical properties of cubic and tetragonal Fe, Co, and Ni
- 1999
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Ingår i: PHYSICAL REVIEW B-CONDENSED MATTER. - : AMERICAN PHYSICAL SOC. - 0163-1829. ; 60:20, s. 14105-14114
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Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)abstract
- Recent experiments suggest that the linear magneto-optical signal from thin surfaces differs significantly from the corresponding hulk signal. Using an ab initio full potential linear muffin-tin orbital method, we have therefore calculated the polar magne
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| 7. |
- Delin, A, et al.
(författare)
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Cohesive properties of the lanthanides: Effect of generalized gradient corrections and crystal structure
- 1998
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Ingår i: PHYSICAL REVIEW B-CONDENSED MATTER. - : AMERICAN PHYSICAL SOC. - 0163-1829. ; 58:8, s. 4345-4351
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Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)abstract
- Two different approximations to the density functional, the local (spin) density approximation (LDA) in the Hedin-Lundqvist parametrization and the Perdew-Wang generalized gradient approximation (GGA), are compared using the lanthanide series plus barium
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| 8. |
- Delin, A, et al.
(författare)
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Full-potential optical calculations of lead chalcogenides
- 1998
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Ingår i: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. - : JOHN WILEY & SONS INC. - 0020-7608. ; 69:3, s. 349-358
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Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)abstract
- We report on ab initio calculations of the optical properties of the lead chalcogenides PbS, PbSe, and PbTe performed with a relativistic full-potential linear muffin-tin orbital method within the local density approximation. Our calculated spectra are in
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| 9. |
- Delin, A, et al.
(författare)
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Method for calculating valence stability in lanthanide systems
- 1997
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Ingår i: PHYSICAL REVIEW LETTERS. - : AMER INST PHYSICS. - 0031-9007. ; 79:23, s. 4637-4640
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Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)abstract
- We demonstrate that from a state-of-the-art total energy method combined with information on atomic excitation energies, it is possible to calculate the energy difference between the divalent and trivalent states in lanthanide systems with an error less t
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| 10. |
- Delin, A, et al.
(författare)
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Optical evidence of 4f-band formation in CeN
- 1997
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Ingår i: PHYSICAL REVIEW B-CONDENSED MATTER. - : AMER INST PHYSICS. - 0163-1829. ; 55:16, s. 10173-10176
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Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)abstract
- We report ab initio calculations of the ground state and optical properties of CeN, which show that the 4f electrons in CeN are itinerant and that the intra-atomic 4f-Coulomb interaction is largely screened. A coherent 4f band of width similar to 2 eV is
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