Related papers: Tight-binding parametrization for the chromium nit…
Using a combination of experimental techniques and density functional theory (DFT) calculations, the influence of lithium insertion on the electronic and electrochemical properties of fluourine-doped SnO$_2$ (FTO) is assessed. For this…
The ultrathin one-dimensional sp3 diamond nanothreads (NTHs), as successfully synthesised recently, have greatly augmented the interests from the carbon community. In principle, there can exist different stable NTH structures. In this work,…
In typical flat-band models, defined as nearest-neighbor tight-binding models, flat bands are usually pinned to the special energies, such as top or bottom of dispersive bands, or band-crossing points. In this paper, we propose a simple…
Heterointerfaces have led to the discovery of novel electronic and magnetic states because of their strongly entangled electronic degrees of freedom. Single-phase chromium compounds always exhibit antiferromagnetism following the prediction…
A systematic experimental study of Gilbert damping is performed via ferromagnetic resonance for the disordered crystalline binary 3d transition metal alloys Ni-Co, Ni-Fe and Co-Fe over the full range of alloy compositions. After accounting…
We report our nuclear magnetic resonance (NMR) study on the structurally spin chain compound Ni$_2$NbBO$_6$ with complex magnetic coupling. The antiferromagnetic transition is monitored by the line splitting resulting from the staggered…
We present the effects of spin-orbit coupling on the low-energy bands and Fermi surface of the recently discovered pressure-induced superconductor CrAs. We apply the L\"owdin down-folding procedure to a tight-binding hamiltonian that…
We study the tight-binding dispersion of the recently discovered superconductor K2Cr3As3, obtained from Wannier projection of Density Functional Theory (DFT) results. In order to establish quantitatively the actual degree of quasi-one…
Materials with kagome lattice have attracted significant research attention due to their nontrivial features in energy bands. In this work, we theoretically investigate the evolution of electronic band structures of kagome lattice in…
Flat-band models have been of particular interest from both fundamental aspects and realization in materials. Beyond the canonical examples such as Lieb lattices and line graphs, a variety of tight-binding models are found to possess flat…
Experimental data are given on the structure and properties of nanocrystalline hardening coatings of titanium nitride doped with copper, produced by plasma-assisted vacuum arc deposition by evaporating powder cathodes. A model of…
Two-dimensional (2D) materials exhibit a wide range of remarkable phenomena, many of which owe their existence to the relativistic spin-orbit coupling (SOC) effects. To understand and predict properties of materials containing heavy…
Analytic technique based on Chebyshev polynomials is developed for studying two-dimensional lattice ribbons with hopping anisotropy. In particular, the tight-binding models on square and triangle lattice ribbons are investigated with…
Microstructure uniformity of the Al-Nd target materials with Al11Nd3 significantly affects the performance of the fabricated film, which is widely used as wiring material in largesize thin-film transistor liquid crystal display (TFT-LCD)…
Raman spectroscopy has been the most extensively employed method to study carbon nanotubes at high pressures. This review covers reversible pressure-induced changes of the lattice dynamics and structure of single- and multi-wall carbon…
We propose a tight binding model for the quantum spin Hall system on triangular optical lattice and we determined the edge state spectrum which contains gap traversing states as the hallmark of $\mathds{Z}_{2}$ topological insulator. The…
We have studied boron nitride monolayer and bilayer band structures. For bilayers, the ground state energies of the different five stackings are computed using DFT in order to determine the most stable configuration. Also, the interlayer…
The thermal equilibrium properties of the spin-ice material DTO, including specific heat, magnetization, and spin correlations, could be successfully reproduced by a model featuring magnetic interactions up to the third nearest neighbor and…
Band ferromagnetism in strongly correlated electron systems is one of the most challenging issue in today's condensed-matter physics. In this theoretical work, we study the competition between kinetic term, Coulomb repulsion, and on-site…
This paper summarises the theory and functionality behind Questaal, an open-source suite of codes for calculating the electronic structure and related properties of materials from first principles. The formalism of the linearised muffin-tin…