Related papers: Formation of dispersive hybrid bands at an organic…
Band theory provides the foundation for understanding electronic structure in crystalline materials, but its reliance on exact translational symmetry limits its applicability to systems with defects, disorder, incommensurate modulations, or…
The edge states in the hybrid system of single-layer and double-layer graphene are studied in the tight-binding model theoretically. The edge states in one side of the interface between single-layer and double-layer graphene are shown to…
The possibility of an inhomogeneous charge density wave phase is investigated in a system of two coupled electron and hole monolayers separated by a hexagonal boron nitride insulating layer. The charge density wave state is induced through…
We consider a topologically non-trivial flat band structure in one spatial dimension in the presence of nearest and next nearest neighbor Hubbard interaction. The non-interacting band structure is characterized by a symmetry protected…
The stressed heterojunctions with antiferromagnetic ordering in which the constituents have oppposite band edge symmetry and their gaps have opposite signs have been investigated. The interface states have been shown to appear in these…
The static topological fractional charge (TFC) in condensed matter systems is related to the band topology and thus has potential applications in topological quantum computation. However, the experimental measurement of these TFCs in…
In recent years, charge transport in metal-organic frameworks (MOFs) has shifted into the focus of scientific research. In this context, systems with efficient through-space charge transport pathways resulting from pi-stacked conjugated…
We study the origin of layer dependence in band structures of two-dimensional materials. We find that the layer dependence, at the density functional theory (DFT) level, is a result of quantum confinement and the non-linearity of the…
The electronic structure, chemical bonding and interface component in ZrN-AlN nanocomposites formed by phase separation during thin film deposition of metastable Zr1-xAlxN (x=0.0, 0.12, 0.26, 0.40) is investigated by resonant inelastic…
Within the framework of the density functional theory, we calculate the electronic structure of $\alpha$-(BEDT-TTF)$_2$I$_3$ at 8K and room temperature at ambient pressure and with uniaxial strain along the $a$- and $b$-axes. We confirm the…
The band alignment (BA) between two materials is a fundamental property that governs the functionality and performance of electronic, as well as electrochemical, devices. However, despite decades of study, the inability to separate surface…
Complex materials encompassing different phases of matter can display new photoinduced metastable states differing from those attainable under equilibrium conditions. These states can be realized when energy is injected in the material…
The isolation of graphene and transition metal dichalcongenides has opened a veritable world to a great number of layered materials which can be exfoliated, manipulated, and stacked or combined at will. With continued explorations expanding…
We study the electronic structure of an ordered array of poly(para-phenylene) chains produced by surface-catalyzed dehalogenative polymerization of 1,4-dibromobenzene on copper (110). The quantization of unoccupied molecular states is…
The field dependence of interlayer magnetoresistance of the pressurized (to the normal state) layered organic metal $\alpha $-(BEDT-TTF)$_{2}$KHg(SCN)$_{4}$ is investigated. The high quasi-two-dimensional anisotropy, when the interlayer…
Electron distributions produced by grazing impact of fast protons on Mg(0001), Cu(111), Ag(111) and Au(111) surfaces are investigated, focusing on the effects of the electronic band structure. The process is described within the…
Photonic flat bands offer significant potential for strong light-matter interactions, nonlinear optics, and sensing thanks to their localization of light and high density of states. However, realizing these flat bands typically requires…
We extend the study of the Fermi surface instability of the Pomeranchuk type into systems with orbital band structures, which are common features in transition metal oxides. Band hybridization significantly shifts the spectra weight of the…
We have investigated the structural and electronic properties of phosphorescent planar platinum(II) complexes at the interface of Au(111) with submolecular resolution using combined scanning tunneling microscopy and spectroscopy as well as…
The breakdown of translational symmetry at heterointerfaces leads to the emergence of new phonon modes localized near the interface. These interface phonons play an essential role in thermal/electrical transport properties in devices…