Thermoelectric effect in kagome lattice enhanced at van Hove singularities

We have performed first-principles calculations using density functional theory on a kagome lattice model with a chiral spin state, as a representative example demonstrating significant longitudinal and transverse thermoelectric properties. The results revealed that the saddle-point-type van Hove singularity (VHS) enhances thermoelectric effects. The longitudinal thermoelectric conductivity $\alpha_{xx}$ was large at the chemical potentials tuned close to the band at the symmetry points, K (lower band edge), $\Gamma$ (upper band edge), and M (saddle point), where the VHSs of the density of states (DOS) were at the corresponding band energies. The transverse thermoelectric conductivity $\alpha_{xy}$ was large at the chemical potential of saddle-point-type VHS. A large anomalous Nernst coefficient of about 10 $\mu$V/K at 50 K was expected

Direct imaging of the disconnection climb mediated point defects absorption by a grain boundary

Grain boundaries (GBs) are considered as the effective sinks for point defects, which improve the radiation resistance of materials. However, the fundamental mechanisms of how the GBs absorb and annihilate point defects under irradiation are still not well understood at atomic scale. With the aid of the atomic resolution scanning transmission electron microscope, we experimentally investigate the atomistic mechanism of point defects absorption by a ∑31 GB in α-Al2O3 under high energy electron beam irradiation. It is shown that a disconnection pair is formed, during which all the Al atomic columns are tracked. We demonstrate that the formation of the disconnection pair is proceeded with disappearing of atomic columns in the GB core, which suggests that the GB absorbs vacancies. Such point defect absorption is attributed to the nucleation and climb motion of disconnections. These experimental results provide an atomistic understanding of how GBs improve the radiation resistance of materials

Real-space observation of short-period cubic lattice of skyrmions in MnGe

Emergent phenomena and functions arising from topological electron-spin textures in real space or momentum space are attracting growing interest for new concept of states of matter as well as for possible applications to spintronics. One such example is a magnetic skyrmion, a topologically stable nanoscale spin vortex structure characterized by a topological index. Real-space regular arrays of skyrmions are described by combination of multi-directional spin helixes. Nanoscale configurations and characteristics of the two-dimensional skyrmion hexagonal-lattice have been revealed extensively by real-space observations. Other three-dimensional forms of skyrmion lattices, such as a cubic-lattice of skyrmions, are also anticipated to exist, yet their direct observations remain elusive. Here we report real-space observations of spin configurations of the skyrmion cubic-lattice in MnGe with a very short period (~3 nm) and hence endowed with the largest skyrmion number density. The skyrmion lattices parallel to the {100} atomic lattices are directly observed using Lorentz transmission electron microscopes (Lorentz TEMs). It enables the first simultaneous observation of magnetic skyrmions and underlying atomic-lattice fringes. These results indicate the emergence of skyrmion-antiskyrmion lattice in MnGe, which is a source of emergent electromagnetic responses and will open a possibility of controlling few-nanometer scale skyrmion lattices through atomic lattice modulations

Stabilization of a honeycomb lattice of IrO6_6 octahedra in superlattices with ilmenite-type MnTiO3_3

In the quest for quantum spin liquids, thin films are expected to open the way for the control of intricate magnetic interactions in actual materials by exploiting epitaxial strain and two-dimensionality. However, materials compatible with conventional thin-film growth methods have largely remained undeveloped. As a promising candidate towards the materialization of quantum spin liquids in thin films, we here present a robust ilmenite-type oxide with a honeycomb lattice of edge-sharing IrO$_6$ octahedra artificially stabilized by superlattice formation with an ilmenite-type antiferromagnetic oxide MnTiO$_3$. The stabilized sub-unit-cell-thick Mn-Ir-O layer is isostructural to MnTiO$_3$, having the atomic arrangement corresponding to ilmenite-type MnTiO$_3$ not discovered yet. By spin Hall magnetoresistance measurements, we found that antiferromagnetic ordering in the ilmenite Mn sublattice is suppressed by modified magnetic interactions in the MnO$_6$ planes via the IrO$_6$ planes. These findings lay the foundation for the creation of two-dimensional Kitaev candidate materials, accelerating the discovery of exotic physics and applications specific to quantum spin liquids

Influence of dislocations in transition metal oxides on selected physical and chemical properties

Studies on dislocations in prototypic binary and ternary oxides (here TiO2 and SrTiO3) using modern TEM and scanning probe microscopy (SPM) techniques, combined with classical etch pits methods, are reviewed. Our review focuses on the important role of dislocations in the insulator-to-metal transition and for redox processes, which can be preferentially induced along dislocations using chemical and electrical gradients. It is surprising that, independently of the growth techniques, the density of dislocations in the surface layers of both prototypical oxides is high (109/cm2 for epipolished surfaces and up to 1012/cm2 for the rough surface). The TEM and locally-conducting atomic force microscopy (LCAFM) measurements show that the dislocations create a network with the character of a hierarchical tree. The distribution of the dislocations in the plane of the surface is, in principle, inhomogeneous, namely a strong tendency for the bundling and creation of arrays or bands in the crystallographic and directions can be observed. The analysis of the core of dislocations using scanning transmission electron microscopy (STEM) techniques (such as EDX with atomic resolution, electron-energy loss spectroscopy (EELS)) shows unequivocally that the core of dislocations possesses a different crystallographic structure, electronic structure and chemical composition relative to the matrix. Because the Burgers vector of dislocations is per se invariant, the network of dislocations (with additional d1 electrons) causes an electrical short-circuit of the matrix. This behavior is confirmed by LCAFM measurements for the stoichiometric crystals, moreover a similar dominant role of dislocations in channeling of the current after thermal reduction of the crystals or during resistive switching can be observed. In our opinion, the easy transformation of the chemical composition of the surface layers of both model oxides should be associated with the high concentration of extended defects in this region. Another important insight for the analysis of the physical properties in real oxide crystals (matrix + dislocations) comes from the studies of the nucleation of dislocations via in situ STEM indentation, namely that the dislocations can be simply nucleated under mechanical stimulus and can be easily moved at room temperature

Structure and Configuration of Boundary Dislocations on Low Angle Tilt Grain Boundaries in Alumina

Structure and configuration of boundary dislocations on various low angle tilt grain boundaries in alumina were considered based on the ideas that the boundary is composed of regularly arrayed edge dislocations and that the dislocations could dissociate into partial dislocations with maintaining the hcp-like oxygen sublattice. Moreover, the separation distance between the partial dislocations formed by the dissociation was evaluated by the calculations based on an elastic theory. The calculations indicated that the width of the stacking fault region between partial dislocations decreases with increasing tilt angles. As a consequence, the hypothesis and calculations used here would enable us to predict the structures of various low angle boundaries with dissociated boundary dislocations