相关论文: Formation of dispersive hybrid bands at an organic…
The electronic structure evolutions of few-layer black phosphorus (BP) under pressure shows a wealth of phenomena, such as the nonmonotonic change of direct gap at the {\Gamma} point, the layer-number dependence, and the distinct responses…
A universal set of third--nearest neighbour tight--binding (TB) parameters is presented for calculation of the quasiparticle (QP) dispersion of $N$ stacked $sp^2$ graphene layers ($N=1... \infty$) with $AB$ stacking sequence. The QP bands…
Increased interest in physics of graphene and other two-dimensional materials boosted investigations of band structure near nodal points and lines. In contrast, group theoretical explanation of simple bands (that do not touch other bands),…
First principle calculations were performed to study the ground state electronic properties of Barium titanate within the density functional theory (DFT). In our DFT computations, we used Vosko-Wilk-Nusair correlation energy functional and…
We explore a scenario where local interactions form one-dimensional gapped interfaces between a pair of distinct chiral two-dimensional topological states - referred to as phases 1 and 2 - such that each gapped region terminates at a domain…
We develop a framework to describe a wide class of flat-band models, with and without a translational symmetry, by using "molecular orbitals" introduced in the prior work (HATSUGAI Y. and MARUYAMA I., \textit{EPL}, \textbf{95}, (2011)…
Band-topology is traditionally analyzed in terms of gauge-invariant observables associated with crystalline Bloch wavefunctions. Recent work has demonstrated that many of the free fermion topological characteristics survive even in an…
We study the chemical nature of the bonding of an oxide layer to the parent metal. In order to disentangle chemical effects from strain/misfit, Ti(10$\bar{1}$0)/TiO$_{2}$(100) interface has been chosen. We use the density functional…
The energy of an Andreev bound state in a clean normal metal in contact with two superconductors disperses with the difference $\Delta \phi$ in the superconducting phase between the superconductors in much the same way as the energies of…
The alignment of the frontier orbital energies of an adsorbed molecule with the substrate Fermi level at metal-organic interfaces is a fundamental observable of significant practical importance in nanoscience and beyond. Typical density…
Entanglement is one of the most fascinating features arising from quantum-mechanics and of great importance for quantum information science. Of particular interest are so-called hybrid-entangled states which have the intriguing property…
Layered transition metal dichalcogenides have rich phase diagram and they feature two dimensionality on numerous physical properties. Co1/3NbS2 is one of the newest members of this family where Co atoms are intercalated into the Van der…
The carbon monolayer band structure calculated in the approximation of weakly interacting {\pi} electrons corresponds to massless electron excitations known as Dirac fermions not previously observed in any other material. However, if strong…
A data mining study of electronic Kohn-Sham band structures was performed to identify Dirac materials within the Organic Materials Database (OMDB). Out of that, the 3-dimensional organic crystal…
Band engineering in twisted bilayers of the five generic two-dimensional Bravais networks is demonstrated. We first derive symmetry-based constraints on the interlayer coupling, which helps us to predict and understand the shape of the…
We present a state-of-the-art density functional theory (DFT) study which models crucial features of the partially disordered orbital order stacking in the prototypical layered transition metal dichalcogenide 1T-TaS2 . Our results not only…
Investigating Shubnikov-de Haas (SdH) oscillations in high magnetic fields, we experimentally infer the electronic band structure of the quasi-two-dimensional electron gas (2DEG) at the ionic-liquid gated amorphous (a)-LaAlO$_3$/KTaO$_3$…
A Kondo resonance has been observed on purely organic molecules in several combinations of charge transfer complexes on a metal surface. It has been regarded as a fingerprint of the transfer of one electron from the donor to the extended…
The distribution function for a system of interacting electrons in metals is multivalent in a certain region of wave vectors. One solution among many is isotropic. For other solutions the distribution of electrons over the wave vectors is…
Two-dimensional metals generically support gapless plasmons with wavelengths well below the wavelength of free-space radiation at the same frequency. Typically, however, this substantial confinement of electromagnetic energy is associated…