Journal
SOLID STATE SCIENCES
Volume 106, Issue -, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.solidstatesciences.2020.106316
Keywords
MAX phases; Borides; Structural properties; DFT calculations; Elastic properties
Funding
- German Research Foundation (DFG)
Ask authors/readers for more resources
Zr2SB and Hf2SB were synthesized via solid-state reactions and the crystal structures were determined by powder X-ray diffraction. Both compounds crystallize in the hexagonal Cr2AlC-type structure (P6(3)/mmc; Z = 2; Zr2SB a = 3.5001(1) angstrom, c = 12.2712(2) angstrom; Hf2SB a = 3.4671(1) angstrom, c = 12.1046(2) angstrom). The lattice parameters and bond lengths are slightly longer and the M6X octahedra are less distorted compared to the known carbides. Resistivity and magnetic measurements reveal that Zr2SB and Hf2SB are good metallic conductors and Pauli paramagnets. Ab-initio DFT calculations of the electronic structure confirm the nonmagnetic metallic state and show mainly ionic bonds, which are weaker than in the carbides. The elastic constants indicate that Zr2SB and Hf2SB are brittle and exhibit a less two-dimensional character compared to other MAX phases.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available