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Y. Filinchuk

Publications and source records attributed to Y. Filinchuk.

5 recordsLinked to original sources
arXiv2017

Superionic diffusion through frustrated energy landscape

Solid-state materials with high ionic conduction are necessary to many technologies including all-solid-state Li-ion batteries. Understanding how crystal structure dictates ionic diffusion is at the root of the development of fast ionic conductors. Here, we show that LiTi2(PS4)3 exhibits a Li-ion diffusion coefficient about an order of magnitude higher than current state-of-the-art lithium superionic conductors. We rationalize this observation by the unusual crystal structure of LiTi2(PS4)3 which offers no regular tetrahedral or octahedral sites for lithium to favorably occupy. This creates a smooth, frustrated energy landscape resembling more the energy landscapes present in liquids than in typical solids. This frustrated energy landscape leads to a high diffusion coefficient combining low activation energy with a high pre-factor.

cond-mat.mtrl-sci↗
arXiv2014

Topological metal behavior in GeBi2Te4 single crystals

The metallic character of the GeBi2Te4 single crystals is probed using a combination of structural and physical properties measurements, together with density functional theory (DFT) calculations. The structural study shows distorted Ge coordination polyhedra, mainly of the Ge octahedra. This has a major impact on the band structure, resulting in bulk metallic behavior of GeBi2Te4, as indicated by DFT calculations. Such calculations place GeBi2Te4 in a class of a few known non-trivial topological metals, and explains why an observed Dirac point lies below the Fermi energy at about -0.12eV. A topological picture of GeBi2Te4 is confirmed by the observation of surface state modulations by scanning tunneling microscopy (STM).

cond-mat.mtrl-sci↗
arXiv2008

New structural and magnetic aspects of the nanotube system Na2V3O7

We present new experimental results of low temperature x-ray synchrotron diffraction, neutron scattering and very low temperature (mK-range) bulk measurements on the nanotube system ${\tube}$. The crystal structure determined from our data is similar to the previously proposed model (P. Millet {\it et al.} J. Solid State Chem. $\bf{147}$, 676 (1999)), but also deviates from it in significant details. The structure comprises nanotubes along the c-axis formed by stacking units of two V-rings buckled in the $ab$-plane. The space group is P$\bar{3}$ and the composition is nonstoichiometric, Na(2-x)V3O7, x=0.17. The thermal evolution of the lattice parameters reveals anisotropic lattice compression on cooling. Neutron scattering experiments monitor a very weak magnetic signal at energies from -20 to 9 meV. New magnetic susceptibility, specific heat measurements and decay of remanent magnetization in the 30 mK - 300 mK range reveal that the previously observed transition at ~76 mK is spin-glass like with no long-range order. Presented experimental observations do not support models of isolated clusters, but are compatible with a model of odd-legged S=1/2 spin tubes possibly segmented into fragments with different lengths.

cond-mat.str-el↗
arXiv2008

Tetrahedra system Cudaca: high-temperature manifold of molecular configurations governing low-temperature properties

The Cudaca system composed of isolated Cu2+ S=1/2 tetrahedra with antiferromagnetic exchange should exhibit properties of a frustrated quantum spin system. ab initio density functional theory calculations for electronic structure and molecular dynamics computations suggest a complex interplay between magnetic exchange, electron delocalization and molecular vibrations. Yet, extensive experimental characterization of Cudaca by means of synchrotron x-ray diffraction, magnetization, specific heat and inelastic neutron scattering reveal that properties of the real material can be only partly explained by proposed theoretical models as the low temperature properties seem to be governed by a manifold of molecular configurations coexisting at high temperatures.

cond-mat.mtrl-sci↗