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Konrad Siemensmeyer

Publications and source records attributed to Konrad Siemensmeyer.

4 recordsLinked to original sources

Emergent hidden order in ice: frustration and glassiness from slow hydrogen dynamics

Frustrated systems can host hidden order, in which weak interactions select correlated structure from a highly degenerate manifold. Water ice Ih is the canonical example of such a manifold, yet whether its hydrogen disorder conceals local structure beyond the Bernal-Fowler ice rules has remained controversial. Here, using high-resolution inelastic neutron scattering on single-crystal heavy ice, we identify strongly anisotropic librational phonons dispersing uniaxially along the crystallographic c axis - a spectroscopic signature inaccessible to bulk-averaging probes. A physics-guided analysis reveals that these excitations encode a hidden partial order: correlated polar armchair chains driven by a shallow stereochemical bias that creates an imperfectly flat energy landscape. This bias promotes nanoscale polar domains, yet frustrated topology prevents their straightforward coarsening into the ice XI ground state, trapping the system in a rugged configurational landscape that, within the experimentally constrained model, retains finite residual entropy even in the limit of infinitely slow cooling. These findings show that ice Ih is not a simple disordered solid, but a frustrated, partially ordered hydrogen network with glass-like arrest on a crystalline lattice, providing a microscopic framework that reconciles thermodynamic theory with spectroscopic observations.

cond-mat.mtrl-sci

Inner relaxations in equiatomic single-phase high-entropy cantor alloy

The superior properties of high-entropy multi-functional materials are strongly connected with their atomic heterogeneity through many different local atomic interactions. The detailed element-specific studies on a local scale can provide insight into the primary arrangements of atoms in multicomponent systems and benefit to unravel the role of individual components in certain macroscopic properties of complex compounds. Herein, multi-edge X-ray absorption spectroscopy combined with reverse Monte Carlo simulations was used to explore a homogeneity of the local crystallographic ordering and specific structure relaxations of each constituent in the equiatomic single-phase face-centered cubic CrMnFeCoNi high-entropy alloy at room temperature. Within the considered fitting approach, all five elements of the alloy were found to be distributed at the nodes of the fcc lattice without any signatures of the additional phases at the atomic scale and exhibit very close statistically averaged interatomic distances (2.54-2.55 Å) with their nearest-neighbors. Enlarged structural displacements were found solely for Cr atoms. The macroscopic magnetic properties probed by conventional magnetometry demonstrate no opening of the hysteresis loops at 5 K and illustrate a complex character of the long-range magnetic order after field-assisted cooling in $\pm$5 T. The observed magnetic behavior is assigned to effects related to structural relaxations of Cr. Besides, the advantages and limitations of the reverse Monte Carlo approach to studies of multicomponent systems like high-entropy alloys are highlighted.

cond-mat.mtrl-sci

Localized-delocalized crossover of spin-carriers and magnetization reversal in Co$_{2}$VO$_{4}$

Neutron diffraction, magnetization and muon spin relaxation measurements, supplemented by density functional theory (DFT) calculations are employed to unravel temperature-driven magnetization reversal (MR) in inverse spinel Co$_2$VO$_4$. All measurements show a second-order magnetic phase transition at $T_{\rm C} = 168$\,K to a collinear ferrimagnetic phase. The DFT results suggest the moments in the ferrimagnetic phase are delocalized and undergo gradual localization as the temperature is lowered below $T_{\rm C}$. The delocalized-localized crossover gives rise to a maximum magnetization at $T_{\rm NC} = 138$\,K and the continuous decrease in magnetization produces sign-change at $T_{\rm MR} \sim 65$\,K. Muon spectroscopy results support the DFT, as a strong $T_1$-relaxation is observed around $T_{\rm NC}$, indicating highly delocalized spin-carriers gradually tend to localization upon cooling. The magnetization reversal determined at zero field is found to be highly sensitive to the applied magnetic field, such that above $B\sim 0.25$\,T instead of a reversal a broad minimum in the magnetization is apparent at $T_{\rm MR}$. Analysis of the neutron diffraction measurements shows two antiparallel magnetic sub-lattice-structure, each belonging to magnetic ions on two distinct crystal lattice sites. The relative balance of these two structural components in essence determines the magnetization. Indeed, the order parameter of the magnetic phase on one site develops moderately more than that on the other site. Unusual tipping of the magnetic balance, caused by such site-specific magnetic fluctuation, gives rise to a spontaneous flipping of the magnetization as the temperature is lowered.

cond-mat.str-el

Surface and bulk components of electrical conductivity in the (presumably special topological) Kondo insulator SmB6 at lowest temperatures

Samarium hexaboride (SmB6) has recently been considered to be a topological Kondo insulator (TKI), the first strongly correlated electron system to exhibit topological surface conduction states. In this contribution, results of electrical resistivity measurements between 80 K and 0.08 K of various SmB6 single crystalline samples are presented, analyzed and discussed. The received results imply that the residual conductivity of SmB6 below about 4 K is of non-activated (metallic-like) nature. It is shown that this metallic-like behavior can be attributed both to surface (2D) conduction states, as may be expected in case of a topological insulator, as well as to the highly correlated many-body (3D) bulk ground state which is formed within the gap of this compound. From this it follows that in SmB6, where surface conductivity states are clearly present, there is in parallel also a bulk contribution to residual electrical conductivity originating from the strongly correlated electron system with valence fluctuations. This raises the question whether SmB6 does not form a new / special type of topological insulator in which in the energy gap besides the surface conduction states, there is also a conducting narrow in-gap band originating from the bulk strongly correlated electron system.

cond-mat.str-el