Related papers: First-principles study of the effective Hamiltonia…
The Dirac electron in the organic conductor $\alpha$-(BEDT-TTF)$_2$I$_3$ under pressure is analyzed using a tight-binding model with nearest-neighbor transfer energies and four molecules per unit cell. By noting that the Dirac point between…
We theoretically study intrinsic superconductivity in doped Dirac semimetals. Dirac semimetals host bulk Dirac points, which are formed by doubly degenerate bands, so the Hamiltonian is described by a $4 \times 4$ matrix and six types of…
Motivated by the recent discovery of Dirac nodal line in the single-component molecular conductor [Pt(dmdt)$_{2}$], we propose a three-orbital tight-binding model based on the Wannier fitting of the first-principles calculation, and address…
We consider quantum rings realized in materials where the dynamics of charge carriers mimics that of two-dimensional (2D) Dirac electrons. A general theoretical description of the ring-subband structure is developed that applies to a range…
The energies as a function of the magnetic field ($H$) and the pressure are studied theoretically in the tight-binding model for the two-dimensional organic conductor, $\alpha$-(BEDT-TTF)$_2$I$_3$, in which massless Dirac fermions are…
We investigated the precise crystal structures and electronic states in a quasi-two-dimensional molecular conductor ${\alpha}$-(BETS)$_2$I$_3$ at ambient pressure. The electronic resistivity of this molecular solid shows metal-to-insulator…
Effect of spin-orbit coupling (SOC) on Dirac electrons in the organic conductor $\alpha$-(BETS)$_2$I$_3$ [BETS = bis(ethylenedithio)tetraselenafulvalene] has been examined by calculating electric conductivity and spin magnetic…
The conducting state of the quasi-two-dimensional organic conductor, $\alpha$-(BEDT-TTF)$_2$I$_3$, at ambient pressure is investigated with $^{13}$C NMR measurements, which separate the local electronic states at three nonequivalent…
The electric conductivity of Dirac electrons in the organic conductor $\alpha$-(BEDT-TTF)$_2$I$_3$ [BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene] under pressure has been examined using a two-dimensional tight-binding (TB) model with…
The electric conductivity of Dirac electrons in the organic conductor $\alpha$-STF$_2$I$_3$ (STF = bis(ethylenedithio)diselenadithiafulvalene), which has an isostructure of ET(=bis(ethylenedithio)tetrathiafulvalene), has been theoretically…
Dirac electrons in a single-component molecular conductor [Pd(dddt)$_2$] under pressure have been examined using a tight-binding model which consists of HOMO (Highest Occupied Molecular Orbital) and LUMO (Lowest Unoccupied Molecular…
In two-dimensional electron systems (2DES) the breaking of the inversion, time-reversal and bulk crystal-field symmetries is interlaced with the effects of spin-orbit coupling (SOC) triggering exotic quantum phenomena. Here, we used…
Topological superconductors should be able to provide essential ingredients for quantum computing, but are very challenging to realize. Spin-orbit interaction in iron-based superconductors opens the energy gap between the $p$-states of…
The quasi-two-dimensional molecular semimetallic conductor $\alpha$-STF$_2$I$_3$ is isostructural with $\alpha$-ET$_2$I$_3$.The latter possesses a unique band structure showing a zero-gap state with Dirac cones under high pressure, whereas…
The charge-ordered insulator $\alpha$-(BEDT-TTF)$_2$I$_3$ gradually evolves to a metal when pressure is applied, and at low temperatures the electronic bands form tilted Dirac-like cones. A metallic state with a frequency-independent…
We present an ab initio derivation method for effective low-energy Hamiltonians of material with strong spin-orbit interactions. The effective Hamiltonian is described in terms of the Wannier function in the spinor form, and effective…
The spin current density functional theory (SCDFT) is the generalization of the standard DFT to treat a fermionic system embedded in the effective external field produced by the spin-orbit coupling interaction. Even in the absence of a spin…
We show the existence of massive Dirac fermions in electronic band structures of a few Fe atomic layers with perpendicular magnetization. Based on a tight binding model fitted to ab-initio band structure, we observe four distinct massive…
We investigate the effect of $k$-cubic spin-orbit interaction on electrical and thermoelectric transport properties of two-dimensional fermionic systems. We obtain exact analytical expressions of the inverse relaxation time (IRT) and the…
We investigate Dirac fermions in the antifferomagnetic metallic state of iron-based superconduc- tors. Deriving an effective Hamiltonian for Dirac fermions, we reveal that there exist two Dirac cones carrying the same chirality, contrary to…