| 1. |
- BROOKS, MSS, et al.
(author)
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CALCULATED GROUND-STATE, OPTICAL AND MAGNETOOPTICAL PROPERTIES OF URANIUM SULFIDE
- 1995
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In: JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS. - : PERGAMON-ELSEVIER SCIENCE LTD. - 0022-3697. ; 56:11, s. 1491-1497
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Journal article (other academic/artistic)abstract
- We report the results of self-consistent energy band calculations of the charge and spin densities of uranium sulphide. The electronic structure was obtained using the linear muffin tin orbital method, with the local spin density approximation to exchange
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| 2. |
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| 3. |
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| 4. |
- BROOKS, MSS, et al.
(author)
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FROM THE TRANSITION-METALS TO THE RARE-EARTHS - VIA THE ACTINIDES
- 1995
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In: JOURNAL OF ALLOYS AND COMPOUNDS. - : ELSEVIER SCIENCE SA LAUSANNE. - 0925-8388. ; 223:2, s. 204-210
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Journal article (other academic/artistic)abstract
- The calculated equations of state of the transition metals are dominated by the d-electron contribution to bonding and at the end of the 3d series the metals become magnetic. In contrast, the calculated equations of state of the rare earths are characteri
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| 5. |
- Delin, A, et al.
(author)
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Optical evidence of 4f-band formation in CeN
- 1997
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In: PHYSICAL REVIEW B-CONDENSED MATTER. - : AMER INST PHYSICS. - 0163-1829. ; 55:16, s. 10173-10176
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Journal article (other academic/artistic)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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| 6. |
- Delin, A, et al.
(author)
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Optical properties of the group-IVB refractory metal compounds
- 1996
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In: PHYSICAL REVIEW B-CONDENSED MATTER. - : AMER INST PHYSICS. - 0163-1829. ; 54:3, s. 1673-1681
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Journal article (other academic/artistic)abstract
- We have calculated ab initio the direct interband electric dipole transitions of the carbides, nitrides, and oxides of Ti, Zr, and Hf in the rocksalt structure using the full-potential linear muffin-tin orbital method. The dipole matrix elements are calcu
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| 7. |
- Gasche, T, et al.
(author)
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Calculated magneto-optical Kerr effect in Fe, Co, and Ni
- 1996
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In: PHYSICAL REVIEW B-CONDENSED MATTER. - : AMER INST PHYSICS. ; 53:1, s. 296-301
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Journal article (other academic/artistic)abstract
- We report ab initio calculations of magneto-optical Kerr effect in Fe, Co, and Ni. Both real and imaginary parts of the interband optical response functions are calculated from self-consistent energy-band calculations in the presence of both a magnetic mo
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| 8. |
- Gasche, T, et al.
(author)
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Calculated optical properties of thorium, protactinium, and uranium metals
- 1996
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In: PHYSICAL REVIEW B-CONDENSED MATTER. - : AMER INST PHYSICS. - 0163-1829. ; 54:4, s. 2446-2452
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Journal article (other academic/artistic)abstract
- We report self-consistent energy band calculations using the linear muffin-tin orbital method and the local-spin-density approximation to exchange and correlation in density-functional theory for the light actinide metals Th, Pa, and U. The optical proper
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| 9. |
- GASCHE, T, et al.
(author)
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GROUND-STATE PROPERTIES OF TERNARY URANIUM-COMPOUNDS .1. HYBRIDIZATION EFFECTS
- 1995
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In: JOURNAL OF PHYSICS-CONDENSED MATTER. - : IOP PUBLISHING LTD. - 0953-8984. ; 7:49, s. 9499-9510
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Journal article (other academic/artistic)abstract
- We report self-consistent LMTO energy band calculations for the compounds U(T)Al with the ZrNiAl structure where T is a group 6-8 transition metal. The role of hybridization between transition metal d states and uranium f states is examined by analysis of
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| 10. |
- GASCHE, T, et al.
(author)
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GROUND-STATE PROPERTIES OF TERNARY URANIUM-COMPOUNDS .2. MAGNETIC-PROPERTIES
- 1995
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In: JOURNAL OF PHYSICS-CONDENSED MATTER. - : IOP PUBLISHING LTD. - 0953-8984. ; 7:49, s. 9511-9519
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Journal article (other academic/artistic)abstract
- We examine the compounds U(T)Al forming in the ZrNiAl structure where T is a group 6-8 transition metal. From first-principles calculations we find, in agreement with experiment, the transition from paramagnetism to magnetism across the series. The inclus
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| 11. |
- SEVERIN, L, et al.
(author)
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CALCULATED MAGNETIC-PROPERTIES OF URANIUM SULFIDE UNDER PRESSURE
- 1995
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In: JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS. - : ELSEVIER SCIENCE BV. - 0304-8853. ; 140, s. 1423-1424
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Journal article (other academic/artistic)abstract
- First principles electronic structure calculations for the itinerant 5f ferromagnet US are presented. At ambient conditions the computed moments agree well with neutron data. As a function of pressure, this magnetization is found to be relatively stable d
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| 13. |
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| 14. |
- TRYGG, J, et al.
(author)
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CALCULATION OF ELASTIC-CONSTANTS IN UC, US, AND UTE
- 1995
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In: PHYSICAL REVIEW B-CONDENSED MATTER. - : AMER INST PHYSICS. - 0163-1829. ; 52:4, s. 2496-2503
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Journal article (other academic/artistic)abstract
- The calculated electronic structure and charge density of UC and US are reported. We also report calculations on the elastic constants of the cubic compounds UC, US, and UTe using the local-spin-density approximation (LSDA) to the exchange and correlation
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