1. Cr3 Triangles induced competing magnetic interactions in the new metal boride TiCrIr2B2: An NMR and DFT study
- Author
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Louis-S. Bouchard, M. Kupers, Rachid St. Touzani, Boniface P. T. Fokwa, Dimitrios Koumoulis, and Ying Zhang
- Subjects
Materials science ,Condensed matter physics ,Mechanical Engineering ,Intermetallic ,chemistry.chemical_element ,Knight shift ,02 engineering and technology ,Electron ,021001 nanoscience & nanotechnology ,Condensed Matter Physics ,01 natural sciences ,Condensed Matter::Materials Science ,Chromium ,chemistry ,Ferromagnetism ,Mechanics of Materials ,Ab initio quantum chemistry methods ,0103 physical sciences ,Antiferromagnetism ,Condensed Matter::Strongly Correlated Electrons ,General Materials Science ,010306 general physics ,0210 nano-technology ,Spin (physics) - Abstract
The presence of one-dimensional trigonal arrangements of chromium atoms (Cr-3) in the structure of TiCrIr2B2 leads to a magnetic transition near ambient temperature. Herein we report an investigation of the nature of electronic and magnetic properties of TiCrIr2B2 via ab initio calculations together with B-11 NMR Knight shift (K) and spin-lattice relaxation rate (1/T1) analysis. The presence of a characteristic rectangular powder pattern below 280 K, absence of a Korringa relation, strong enhancement of 1/TI.T at low temperatures and weak temperature dependence of K indicate competition between antiferromagnetic and ferromagnetic spin fluctuations in the itinerant d-band electrons, in agreement with ab initio calculations. One-dimensional trigonal arrangements of magnetically active elements in intermetallic compounds, as is found in TiCrIr2B2, are quite rare and could lead to exotic phenomena such as spin-chirality and quantum criticality in low-dimensional frustrated lattices.
- Published
- 2018