Matches in SemOpenAlex for { <https://semopenalex.org/work/W2904110177> ?p ?o ?g. }
- W2904110177 abstract "Abstract We report a detailed density functional theory investigation for ACr2As2 (A = Sr, Ba), which are isostructural to their iron counterparts AFe2As2, parent compounds of iron-based superconductors. The calculated results for these two compounds are quite similar, indicating that the A site ions have only a relatively small impact on the magnetic and electronic structures. It is found that both ACr2As2 favor an itinerant antiferromagnetic ground state with G-type spin arrangement, and possess a sizable magnetocrystalline anisotropy energy with the easy axis directed along the c axis perpendicular to the CrAs plane. Furthermore, the optimized lattice constants and internal atomic parameter of ACr2As2 are found to be sensitive to magnetic ordering, which implies the presence of a magnetostructural coupling effect." @default.
- W2904110177 created "2018-12-22" @default.
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- W2904110177 date "2019-04-01" @default.
- W2904110177 modified "2023-10-14" @default.
- W2904110177 title "First-principles study of the magnetic and electronic properties of ACr2As2 (A = Sr, Ba)" @default.
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- W2904110177 doi "https://doi.org/10.1016/j.jmmm.2018.12.029" @default.
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