Related papers: Electronic structure of pristine and K-doped solid…
This study examines the application of transition metal-doped SrTiO3 in photovoltaic technologies, such as photocatalysis. The core objective is to evaluate how different dopants influence the structural and electronic characteristics of…
First-principles calculations were performed to investigate the electronic structure of two-dimensional (2-D) Ge, Sn, and Pb without and with the presence of an external electric field in combination with spin-orbit coupling. Tight-binding…
The kagome metals $A$V$_3$Sb$_5$ ($A=$ K, Cs, Rb) have become a fascinating materials platform following the discovery of many novel quantum states due to the interplay between electronic correlation, topology, and geometry. Understanding…
The energy spectrum and electronic density of states (DOS) of zigzag graphene nanoribbons with edges reconstructed with topological defects are investigated within the tight-binding method. In case of the Stone-Wales zz (57) edge the…
The tight-binding method is employed to investigate the effects of three typical in-plane electric fields on the electronic structure of a triangular zigzag graphene quantum dot. The calculation shows that the single-electron eigenstates…
Light-matter interaction is crucial to both understanding fundamental phenomena and developing versatile applications. Strong coupling, robustness, and controllability are the three most important aspects in realizing light-matter…
We examine the interdependence of structural and electronic properties of two substituted pyrene crystals by means of combined spectroscopic probes and density-functional theory calculations. One derivative features n-hexyl side groups,…
The electronic properties of hydrogenated graphenes are investigated with the first-principles calculations. Geometric structures, energy bands, charge distributions, and density of states (DOS) strongly depend on the different…
I give a brief overview of experimental studies of the spectrum and the structure of the excited states of the nucleon and what we learn about their internal structure. The focus is on the effort to obtain a more complete picture of the…
First-principles calculations were performed to investigate the electronic structure and the Fermi surface of the newly discovered low-temperature superconductor: fluorine-doped WO3. We find that F doping provides the transition of the…
Based on first principles calculation, the electronic properties of graphene on metal (Ti, Ca, Ni, Mn, Co, Fe, Cr, K) modified SiO2 substrate have been studied. The results of binding energies supported graphene indicate that the metal…
We have studied the low-lying electronic structure of a new ThCr$_2$Si$_2$-type superconductor KNi$_2$Se$_2$ with angle-resolved photoemission spectroscopy. Three bands intersect the Fermi level, forming complicated Fermi surface topology,…
An exact description of $\pi$ electrons based on the tight-binding model of graphene as an alternant, plane macromolecule is presented. The model molecule can contain an arbitrary number of benzene rings and has armchair- and zigzag-shaped…
Particle-wave duality suggests we think of electrons as waves stretched across a sample, with wavevector k proportional to their momentum. Their arrangement in "k-space," and in particular the shape of the Fermi surface, where the highest…
The evolution of the role of lattice vibrations in the formation of the pseudogap state in strongly correlated electron systems has been investigated concerning changes in the electron-phonon coupling parameters and the concentration of…
Quasiparticle interference has been used frequently for the purpose of unraveling the electronic states in the vicinity of the Fermi level as well as the nature of superconducting gap in the unconventional superconductors. Using the…
Energy spectrum fine structure of triplet two-electron states is investigated theoretically. Spin-orbit interaction induced terms in the effective Hamiltonian of electron-electron interaction are derived for zinc-blende lattice…
The unusual transport properties of graphene are the direct consequence of a peculiar bandstructure near the Dirac point. We determine the shape of the pi bands and their characteristic splitting, and the transition from a pure 2D to…
We present a comprehensive study of the photon energy ($h \nu$) dependent line-shape evolution of molecular orbital signals of large $\pi$-conjugated molecules by resonant photoelectron spectroscopy (RPES). A comparison to RPES data of…
LiV2O4 is a spinel-structured compound that stands out as the first known 3d-electron system exhibiting typical heavy fermion behavior. A central question is how such strong mass renormalization emerges in the absence of f-electrons. In…