publication . Article . Other literature type . 2016

ChemInform Abstract: Recent Progress in Simulations of the Paramagnetic State of Magnetic Materials

I.A. Abrikosov; A.V. Ponomareva; P. Steneteg; S.A. Barannikova; B. Alling;
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  • Published: 01 Apr 2016 Journal: ChemInform, volume 47 (issn: 0931-7597, Copyright policy)
  • Publisher: Wiley
Abstract
We review recent developments in the field of first-principles simulations of magnetic materials above the magnetic order–disorder transition temperature, focusing mainly on 3d-transition metals, their alloys and compounds. We review theoretical tools, which allow for a description of a system with local moments, which survive, but become disordered in the paramagnetic state, focusing on their advantages and limitations. We discuss applications of these theories for calculations of thermodynamic and mechanical properties of paramagnetic materials. The presented examples include, among others, simulations of phase stability of Fe, Fe–Cr and Fe–Mn alloys, formatio...
Subjects
arXiv: Condensed Matter::Materials Science
free text keywords: парамагнитные состояния, магнитные материалы, сплавы, стали, Paramagnetism, Inorganic chemistry, Chemical physics, Chemistry, Transition temperature, Magnetic order, Condensed matter physics, Materials science
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publication . Article . Other literature type . 2016

ChemInform Abstract: Recent Progress in Simulations of the Paramagnetic State of Magnetic Materials

I.A. Abrikosov; A.V. Ponomareva; P. Steneteg; S.A. Barannikova; B. Alling;