The versatility of the crystal chemistry of Ti Co B structure-type compounds have been the subject of many studies due to its substitution-induced magnetic ordering. Thus, two new quaternary derivatives, Zr MnRu B and Hf FeRu B, were synthesized via arc-melting and characterized through powder and single crystal X-ray diffraction (XRD). Structure determination through single-crystal XRD displayed a crystal structure composed of pentagonal, tetragonal and trigonal prisms built by Ru atoms. Within the pentagonal Ru-prisms lie the larger Zr or Hf atoms, magnetically active M atoms (Mn or Fe) lie within the tetragonal prisms, whereas smaller boron atoms lie within the trigonal prisms. Moreover, M atoms form one-dimensional chains within the tetragonal prism channels along the c-direction with an intrachain M-M distance of 3.10 Å suitable for magnetic interactions. Both the compounds have been characterized for their magnetic properties by temperature and field dependent magnetic measurements. Both showing antiferromagnetic ground states with a presence of a Néel transition temperature (<i>T</i><sub>N</sub>) whereas presence of ferromagnetic interactions was observed from a positive Weiss constant observed in inverse-susceptibility vs. temperature plots for both compounds. Additionally, DFT calculations revealed that the intrachain M-M interaction is ferromagnetic in nature, whereas the interchain interaction is antiferromagnetic in nature, supporting the experimental findings.

Magnetism and crystal structure of new Ti Co B structure-type quaternary borides: Zr MnRu B and Hf FeRu B

2019 Fall National Meeting

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