کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1333238 979070 2010 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Structure, bonding, and magnetic response in two complex borides: Zr2Fe1−δRu5+δB2 and Zr2Fe1−δ(Ru1−xRhx)5+δB2
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی معدنی
پیش نمایش صفحه اول مقاله
Structure, bonding, and magnetic response in two complex borides: Zr2Fe1−δRu5+δB2 and Zr2Fe1−δ(Ru1−xRhx)5+δB2
چکیده انگلیسی

Polycrystalline samples of two complex intermetallic borides Zr2Fe1−δRu5+δB2 and Zr2Fe1−δ(Ru1−xRhx)5+δB2 (δ=ca. 0.10; x=0.20) were synthesized by high-temperature methods and characterized by single-crystal X-ray diffraction, energy dispersive spectroscopy, and magnetization measurements. Both structures are variants of Sc2Fe(Ru1−xRhx)5B2 and crystallize in the space group P4/mbm (no. 127) with the Ti3Co5B2-type structure. These structures contain single-atom, Fe-rich Fe/Ru or Fe/Ru/Rh chains along the c-axis with an interatomic metal-metal distance of 3.078(1) Å, a feature which makes them viable for possible low-dimensional temperature-dependent magnetic behavior. Magnetization measurements indicated weak ferrimagnetic ordering with ordering temperatures ca. 230 K for both specimens. Tight-binding electronic structure calculations on a model “Zr2FeRu5B2” using LDA yielded a narrow peak at the Fermi level assigned to Fe–Fe antibonding interactions along the c-axis, a result that indicates an electronic instability toward ferromagnetic coupling along these chains. Spin-polarized calculations of various magnetic models were examined to identify possible magnetic ordering within and between the single-atom, Fe-rich chains.

Zr2FeRu5−xRhxB2 (x=0, 1) crystallizes with magnetic atoms forming chains which have been shown to order magnetically depending on the total valence electron count. Magnetic measurements and tight-binding electronic structure calculations are employed to investigate the ordering.Figure optionsDownload as PowerPoint slide

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Solid State Chemistry - Volume 183, Issue 12, December 2010, Pages 2917–2924
نویسندگان
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