Ladders of a Magnetically Active Element in the Structure of the Novel Complex Boride Ti9Fe2Ru18B8: Synthesis, Structure, Bonding, and Magnetism
Date
Authors
Major Professor
Advisor
Committee Member
Journal Title
Journal ISSN
Volume Title
Publisher
Abstract
Polycrystalline samples and single crystals of the complex boride Ti9Fe2Ru18B8 were synthesized by arc-melting the elements and characterized by single-crystal X-ray diffraction and energy-dispersive X-ray analysis. Ti9Fe2Ru18B8 is a new substitutional variant of the Zn11Rh18B8 structure type, space group P4/mbm (No. 127), whose remarkable feature is that it contains one-dimensional chains of dumbbells of magnetically active Fe atoms, which form “ladders” along the c axis. The Fe−Fe distance within a dumbbell is 2.489(2) Å, and the Fe2−Fe2 distance between two dumbbells is 2.968(1) Å; in contrast, the chains are well-separated from each other by distances of at least 11.217(2) Å. According to the results of tight-binding electronic structure calculations, Ru−B and Ti−Ru contacts are responsible for the structural robustness, while Fe−Fe interactions influence the magnetic behavior. According to magnetization measurements, Ti9Fe2Ru18B8 orders ferromagnetically between 10 and ~200 K. A model for ferromagnetism in this ladder-based structure identifies ferromagnetic coupling among neighboring spin-triplet Fe2 dimers along the c axis as the origin of the magnetic behavior.
Series Number
Journal Issue
Is Version Of
Versions
Series
Academic or Administrative Unit
Type
Comments
Reprinted (adapted) with permission from Inorg. Chem., 2008, 47 (6), pp 2113–2120. Copyright 2008 American Chemical Society.