Itinerant Antiferromagnetism in RuO$_{2}$
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2017-02-23
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Bulk rutile RuO$_2$ has long been considered a Pauli paramagnet. Here we report that RuO$_2$ exhibits a hitherto undetected lattice distortion below approximately 900 K. The distortion is accompanied by antiferromagnetic order up to at least 300 K with a small room temperature magnetic moment of approximately 0.05 $\mu_B$ as evidenced by polarized neutron diffraction. Density functional theory plus $U$ (DFT+$U$) calculations indicate that antiferromagnetism is favored even for small values of the Hubbard $U$ of the order of 1 eV. The antiferromagnetism may be traced to a Fermi surface instability, lifting the band degeneracy imposed by the rutile crystal field. The combination of high N'eel temperature and small itinerant moments make RuO$_2$ unique among ruthenate compounds and among oxide materials in general.
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Berlijn, T, PC Snijders, O Delaire, H-D Zhou, TA Maier, H-B Cao, S-X Chi, M Matsuda, et al. (2017). Itinerant Antiferromagnetism in RuO$_{2}$. PRL, 118. p. 077201. 10.1103/PhysRevLett.118.077201 Retrieved from https://hdl.handle.net/10161/13673.
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Scholars@Duke
Olivier Delaire
The Delaire group investigates atomistic transport processes of energy and charge, and thermodynamics in energy materials. We use a combined experimental and computational approach to understand and control microscopic energy transport for the design of next-generation materials, in particular for sustainable energy applications. Current materials of interest include superionic conductors, photovoltaics, thermoelectrics, ferroelectrics/multiferroics, and metal-insulator transitions. Our group's studies provide fundamental insights into atomic dynamics and elementary excitations in condensed-matter systems (phonons, electrons, spins), their couplings and their effects on macroscopic properties. We probe the microscopic underpinnings of transport and thermodynamics properties by integrating neutron and x-ray scattering, optical spectroscopy, and thermal characterization, together with quantum-mechanical computer simulations.
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