Materials World Network: Targeting New Complex Itinerant Magnets M1-xM'1+x(TyT'1-y)2B2 using experiment and Theory

Final Report Abstract

All objectives of the project have been surpassed, as the expected compounds have been successfully synthesized and characterized using synergistic experimental and computational investigations. Furthermore, unexpected compounds could be obtained as well, usually as result of failed synthetic efforts. The following six subprojects have been achieved: 1. Syntheses, crystal and electronic structures and magnetism of TiCrIr2−xOsxB2. 2. The new potentially frustrated complex magnetic material TiMn1-δOs2+δB2. 3. Ti1+xRh2−x+yIr3−yB3 (x=0.68, y=1.06): A new structure type containing B4 zigzag fragments. 4. Structure change within the TiMIr2B2 series: Experimental and theoretical studies. 5. The first quaternary metal-rich boride adopting the Mo2IrB2-type structure. 6. New phases containing planar B6 rings as building block.

Publications

• All-Boron Planar B6 Ring in the Solid State Phase Ti7Rh4Ir2B8, Angew. Chem. Int. Ed. 2012, 51,1702; Angew. Chem. 2012, 124, 1734
  B. P. T. Fokwa, M. Hermus
  
• The complex metal-rich boride Ti1+xRh2−x+yIr3−yB3 (x=0.68, y=1.06) with a new structure type containing B4 zigzag fragments: Synthesis, crystal chemistry and theoretical calculations, J. Solid State Chem. 2012, 192, 119
  C. Goerens, B. P. T. Fokwa
  
• V1+xNb1–xIrB2 (x ≈ 0.1), The First Quaternary Metal-Rich Boride Adopting The Mo2IrB2-Type Structure: Synthesis, Crystal and Electronic Structure and Bonding Analysis, Z. Anorg. Allg. Chem., 2013, 639, 319
  C. Goerens, B. P. T. Fokwa
  
• Unexpected Synergy between Magnetic Iron Chains and Stacked B6 Rings in Nb6Fe1-xIr6+xB8, Angew. Chem. Int. Ed. 2014, 53, 13174
  M. Mbarki, R. St. Touzani, B. P. T. Fokwa
  
• Spin Frustration and Magnetic Ordering from One-Dimensional Stacking of Cr3 Triangles in TiCrIr2B2, Inorg. Chem. 2016
  M. Kuepers, L. Lutz-Kappelman, Y. Zhang, G. J. Miller, B. P. T. Fokwa