| 1. |
- ERIKSSON, O, et al.
(author)
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BULK AND SURFACE MAGNETISM AND INTERPLANAR SPACINGS IN GD FROM FIRST-PRINCIPLES CALCULATIONS
- 1995
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In: PHYSICAL REVIEW B-CONDENSED MATTER. - : AMER INST PHYSICS. - 0163-1829. ; 52:6, s. 4420-4426
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Journal article (other academic/artistic)abstract
- The magnetic ground state of bulk Gd and surface Gd is investigated by means of first-principles calculations based on the local-spin-density approximation. Good agreement between theory and experiment is found for all calculated bulk properties only if w
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| 2. |
- Eriksson, O, et al.
(author)
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Theoretical aspects of the 4f-localization at the surface of alpha-Ce
- 1997
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In: SURFACE SCIENCE. - : ELSEVIER SCIENCE BV. - 0039-6028. ; 382:1-3, s. 93-99
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Journal article (other academic/artistic)abstract
- Electronic structure calculations, based on density functional theory, demonstrate that the surface of alpha-Ce is spin and orbitally polarized and very similar to that obtained from a calculation for bulk gamma-Ce. In contrast, the lower lying layers do
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| 3. |
- Hjortstam, O, et al.
(author)
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Calculated bond properties of K adsorbed on graphite
- 1998
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In: PHYSICAL REVIEW B-CONDENSED MATTER. - : AMERICAN PHYSICAL SOC. - 0163-1829. ; 58:19, s. 13191-13196
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Journal article (other academic/artistic)abstract
- The properties of the chemical bond of K adsorbed on a graphite(0001) surface have been studied for different coverages, by means of a full-potential slab method. Specific modifications of the Hamiltonian are performed in order to make it possible to stud
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| 4. |
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| 5. |
- Hjortstam, O, et al.
(author)
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Giant surface layer relaxation for be (10(1)over-bar-0)
- 1996
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In: JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS. - : ELSEVIER SCIENCE BV. - 0304-8853. ; 156:1-3, s. 85-86
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Journal article (other academic/artistic)abstract
- We predict a giant surface relaxation of the (<10(1)over bar 0>) surface of Be. The surface layer relaxes inwards with 25%, which we show is due to a pronounced surface state close to the Fermi level. We also predict that the (<10(1)over bar 0>) surface a
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| 6. |
- Hjortstam, O, et al.
(author)
-
Magnetic anisotropy and magnetostriction in tetragonal and cubic Ni
- 1997
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In: PHYSICAL REVIEW B-CONDENSED MATTER. - : AMER INST PHYSICS. - 0163-1829. ; 55:22, s. 15026-15032
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Journal article (other academic/artistic)abstract
- The magnetic anisotropy energy (MAE) of face-centered-tetragonal (fct) Ni is calculated as a function of the axial c/a ratio. It is shown that the MAE for fct Ni is tremendously enhanced relative to the MAE for fec Ni. The theoretical results are compared
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| 7. |
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| 8. |
- Hjortstam, O, et al.
(author)
-
Surface layer relaxation for Be(10(1)over-bar0): Theory
- 1996
-
In: SURFACE SCIENCE. - : ELSEVIER SCIENCE BV. - 0039-6028. ; 355:1-3, s. 214-220
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Journal article (other academic/artistic)abstract
- We predict an inwards surface relaxation of the (<10(1)over bar 0>) surface of Be. The surface layer relaxes inwards with 25% of the inter planar distance, a rather large value. However, the corresponding change of nearest-neighbour interatomic distances
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| 9. |
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| 10. |
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