arXiv subjects

Hikaru Sawahata

Publications and source records attributed to Hikaru Sawahata.

6 recordsLinked to original sources

arXiv2023

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 $α_{xx}$ was large at the chemical potentials tuned close to the band at the symmetry points, K (lower band edge), $Γ$ (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 $α_{xy}$ was large at the chemical potential of saddle-point-type VHS. A large anomalous Nernst coefficient of about 10 $μ$V/K at 50 K was expected.

cond-mat.mtrl-sci↗

arXiv2022

First-principles calculation of anomalous Hall and Nernst conductivity by local Berry phase

In this study, we implemented a finite-difference algorithm for computing anomalous Hall and Nernst conductivity. Based on the expression to evaluate the Berry curvature in an insulating system [J. Phys. Soc. Jpn. 74 1674(2005)], we extended the methods to a metallic system. We calculated anomalous Hall conductivity and Nernst conductivity in a two-dimensional ferromagnetic material FeCl$_2$ and three-dimensional ferromagnetic transition metals bcc-Fe, hcp-Co, and fcc-Ni. Our results are comparable to previously reported results computed by Kubo-formula or Wannier representation. To evaluate anomalous Nernst coefficients, the detailed Fermi-energy dependence of the anomalous Hall conductivity is required. Nonetheless, previous methods based on Wannier representation or Kubo-formula have numerical instability due to the ${\boldsymbol k}$-space Dirac monopole. The present method will open an efficient thermoelectric material design based on the high-throughput first-principles screening.

cond-mat.mtrl-sci↗

arXiv2021

Ambient pressure Dirac electron system in quasi-two-dimensional molecular conductor $α$-(BETS)$_2$I$_3$

We investigated the precise crystal structures and electronic states in a quasi-two-dimensional molecular conductor $α$-(BETS)$_2$I$_3$ at ambient pressure. The electronic resistivity of this molecular solid shows metal-to-insulator (MI) crossover at $T_{MI}$=50 K. Our x-ray diffraction and $^{13}$C nuclear magnetic resonance experiments revealed that $α$-(BETS)$_2$I$_3$ maintains the inversion symmetry below $T_{MI}$. First-principles calculations found a pair of anisotropic Dirac cones at a general k-point, with the degenerate contact points at the Fermi level. The origin of the insulating state in this system is a small energy gap of ~2 meV opened by the spin-orbit interaction. The Z$_2$ topological invariants indicate that this system is a weak topological insulator. Our results suggest that $α$-(BETS)$_2$I$_3$ is a promising material for studying the bulk Dirac electron system in two dimensions.

cond-mat.str-el↗

arXiv2019

Electric-field-induced Z2 topological phase transition in strained single bilayer Bi(111)

For controlling the critical electric fields of the topological phase transition in single bilayer Bi(111), we investigated topological phases in a strained system through first-principles calculations. We found a quadratic band touching semimetallic state at tensile strain $ε=0.5$%. Around this strain, the topological phase can be switched to a trivial insulator by an infinitesimal electric field. The positions at which Dirac cones appear in the electric-field-induced topological phase transition changed for the strain $ε>0.5$% and $ε<0.5$%. Our results indicate that this topological phase transition could be applied to novel spintronic devices.

cond-mat.mes-hall↗

arXiv2018

Large anomalous Nernst coefficient in an oxide Skyrmion crystal Chern insulator

A sizable transverse thermoelectric coefficient N , large to the extent that it potentially serves applications, is predicted to arise, by means of first-principles calculations, in a Skyrmion crystal assumed on EuO monolayer where carrier electrons are introduced upon a quantum anomalous Hall insulating phase of Chern number C = 2. This encourages future experiments to pursue such an effect.

cond-mat.str-el↗

arXiv2017

First-principles study of electric-field-induced topological phase transition in one-bilayer Bi(111)

Using first-principles calculations, we found the topological phase transition induced by electric fields in one-bilayer Bi(111). The bandgap decreased with increasing electric field strength, and it is closed at 2.1 V/Å. For fields exceeding 2.1 V/Å, the bandgap increased with increasing electric field strength, reaching 0.34 eV at 4.0 V/Å. We computed the $Z_{2}$ invariant that characterizes topological insulator phases. As results, one-bilayer Bi(111) showed a topological phase transition induced by the electric field, from the topological insulator phase to the trivial insulator phase through a Dirac semimetal. This topological phase transition could be applied to novel devices.

cond-mat.mtrl-sci↗