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JOURNAL OF PHYSICS D-APPLIED PHYSICS, ISSN 0022-3727, 12/2017, Volume 50, Issue 49
We present results of ab initio calculations of several L1(0) FeNi characteristics, such as the summary of the magnetocrystalline anisotropy energies (MAEs),... 
full potential | PHYSICS, APPLIED | magnetocrystalline anisotropy energy | magnetostriction | SPIN | METALS | Fermi surface | rare earth free permanent magnets | MAGNETIC-MOMENT DISTRIBUTION | L1 FeNi | hard magnetic materials
Journal Article
Computational Materials Science, ISSN 0927-0256, 06/2017, Volume 134, p. 166
To access, purchase, authenticate, or subscribe to the full-text of this article, please visit this link: http://dx.doi.org/10.1016/j.commatsci.2017.03.040 
Uranium | Specific gravity | Analysis | Crystals | Density functionals | Structure
Journal Article
Computational Materials Science, ISSN 0927-0256, 06/2017, Volume 134, p. 166
Journal Article
JOURNAL OF PHYSICS D-APPLIED PHYSICS, ISSN 0022-3727, 05/2018, Volume 51, Issue 17
Cubic Laves phases including YFe2, YCo2, ZrFe2, and ZrCo2 are considered as promising candidates for application in hydrogen storage and magnetic... 
ab initio | mean field theory | LAVES | ACCURATE | PHYSICS, APPLIED | Monte Carlo | YCO2 | Laves phases | MAGNETIC-PROPERTIES | ITINERANT-ELECTRON METAMAGNETISM | HYDROGEN STORAGE | Curie temperature
Journal Article
PHYSICAL REVIEW B, ISSN 1098-0121, 11/2015, Volume 92, Issue 17
We have explored, computationally and experimentally, the magnetic properties of (Fe1-xCox)(2)B alloys. Calculations provide a good agreement with experiment... 
PHYSICS, CONDENSED MATTER | MOMENT | PERMANENT-MAGNETS | METALS | MEAN-FIELD THEORY | SYSTEMS | MAGNETOCRYSTALLINE ANISOTROPY | BAND-STRUCTURE | Condensed Matter Physics | Fysik | Den kondenserade materiens fysik | Physical Sciences | Naturvetenskap | Natural Sciences
Journal Article
Computational Materials Science, ISSN 0927-0256, 06/2017, Volume 134, pp. 166 - 170
The five crystal structures of selected UNi Sb compositions are investigated by density functional theory supercell calculations. The considered phases are USb... 
Geometry optimization | DFT | Ab initio calculations | Supercells | Uranium compounds | Layered structures | MATERIALS SCIENCE, MULTIDISCIPLINARY | ANTIFERROMAGNETISM | NEUTRON-DIFFRACTION | BATTERIES | RAY PHOTOEMISSION SPECTRUM | SINGLE-CRYSTALS | TRANSPORT | TRANSITION-METAL | UNI0.5SB2 | MAGNETIC-PROPERTIES | ELECTRONIC-STRUCTURE
Journal Article
Journal of Alloys and Compounds, ISSN 0925-8388, 09/2018, Volume 763, pp. 951 - 959
La-Mg-Ni-based alloys are promising negative electrode materials for 3rd generation of Ni-MH batteries. In this work we investigate the effect of Mg... 
Metal hydrides | XPS | La-Mg-Ni alloys | DFT | Mechanical alloying | STABILITY | HYDRIDES | MATERIALS SCIENCE, MULTIDISCIPLINARY | METALLURGY & METALLURGICAL ENGINEERING | HYDROGEN STORAGE ALLOYS | NANOCRYSTALLINE | CHEMISTRY, PHYSICAL | XPS VALENCE-BAND | TRANSITION | MAGNETIC-PROPERTIES
Journal Article
Journal of Alloys and Compounds, ISSN 0925-8388, 01/2019, Volume 773, pp. 131 - 139
In this work we investigate the effect of Gd and Co substitutions on the electrochemical and electronic properties of La Mg Ni alloy. Two series of La Gd Mg Ni... 
Metal hydrides | XPS | La-Mg-Ni alloys | DFT | Mechanical alloying | SUBSTITUTION | MATERIALS SCIENCE, MULTIDISCIPLINARY | METALLURGY & METALLURGICAL ENGINEERING | HYDROGEN STORAGE ALLOYS | CHEMISTRY, PHYSICAL | X=0 | PHASE-STRUCTURE | MICROSTRUCTURES | MAGNETIC-PROPERTIES
Journal Article
Surface and Coatings Technology, ISSN 0257-8972, 10/2016, Volume 303, pp. 125 - 130
The Pd[sbnd]Zr alloy thin films were prepared onto oxidised Si(100) substrates in the temperature range of 295 K up to 700 K using computer-controlled UHV... 
XPS valence band | Nanocrystalline thin films | Ab initio calculations | PHYSICS, APPLIED | SORPTION | MEMBRANES | CLUSTERS | SURFACE | NI | HYDROGEN SEPARATION | MATERIALS SCIENCE, COATINGS & FILMS | ELECTRONIC-STRUCTURE | POLYCRYSTALLINE
Journal Article
JOURNAL OF APPLIED PHYSICS, ISSN 0021-8979, 08/2015, Volume 118, Issue 5, p. 53905
A magnetization study of a La2Co7 single crystal has obtained the following anisotropy constants: K-1 = 1.4 MJ/m(3) and K-2 = 0.02 MJ/m(3) (at room... 
PHYSICS, APPLIED | SPONTANEOUS MAGNETOSTRICTION | EARTH-COBALT COMPOUNDS | Research | Magnetization | Anisotropy | Analysis | Fysik | Physical Sciences | Naturvetenskap | Natural Sciences
Journal Article
Journal of Alloys and Compounds, ISSN 0925-8388, 04/2017, Volume 702, pp. 258 - 265
Magnetic and magnetocaloric properties of Y Gd Co compounds, where  = 0.2, 0.4, 0.6, 0.8 and 1.0, were investigated experimentally and theoretically. Crystal... 
Structural disorder | Magnetocaloric effect | Laves phase | GDCO2 | ALLOYS | MATERIALS SCIENCE, MULTIDISCIPLINARY | METALLURGY & METALLURGICAL ENGINEERING | CHEMISTRY, PHYSICAL | MAGNETIC-PROPERTIES | TRANSITIONS | ELECTRONIC-STRUCTURE
Journal Article
Journal of Alloys and Compounds, ISSN 0925-8388, 05/2019, Volume 787, p. 744
A transformation between the magnetically ordered CeCoGe.sub.3 and heavy fermion CeFeGe.sub.3 is isostructural but not isoelectronic, therefore the... 
Spin coupling | Photoionization | Analysis | Density functionals | X-ray spectroscopy
Journal Article
Journal of Alloys and Compounds, ISSN 0925-8388, 10/2015, Volume 647, pp. 605 - 611
The electronic structure of a heavy-fermion superconductor Ce PdIn was investigated by means of X-ray photoelectron spectroscopy (XPS) and density functional... 
Electronic structure | Heavy-fermions | Superconductivity | PHASES | STATES | PHOTOEMISSION SPECTRUM | MATERIALS SCIENCE, MULTIDISCIPLINARY | METALLURGY & METALLURGICAL ENGINEERING | AB-INITIO CALCULATIONS | CHEMISTRY, PHYSICAL | MAGNETISM | FLUCTUATION | INSULATORS | CECOIN5 | DENSITY-FUNCTIONAL THEORY
Journal Article
Journal of Alloys and Compounds, ISSN 0925-8388, 10/2015, Volume 647, pp. 605 - 611
The electronic structure of a heavy-fermion superconductor Ce sub(2)PdIn sub(8) was investigated by means of X-ray photoelectron spectroscopy (XPS) and ab... 
Electronic structure | Density of states | Band structure of solids | Electronics | Mathematical models | Spectra | Density | X-ray photoelectron spectroscopy
Journal Article
Journal of Alloys and Compounds, ISSN 0925-8388, 10/2015, Volume 647, p. 605
The electronic structure of a heavy-fermion superconductor Ce.sub.2PdIn.sub.8 was investigated by means of X-ray photoelectron spectroscopy (XPS) and ab initio... 
Superconductors | X-ray spectroscopy | Specific gravity | Analysis
Journal Article
Surface & Coatings Technology, ISSN 0257-8972, 10/2016, Volume 303, pp. 125 - 130
The Pd Zr alloy thin films were prepared onto oxidised Si(100) substrates in the temperature range of 295 K up to 700 K using computer-controlled UHV magnetron... 
XPS valence band | Nanocrystalline thin films | Ab initio calculations | Thin films | X-ray spectroscopy | Dielectric films | Analysis | Alloys
Journal Article
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