Related papers: Three-dimensional deformations in single-layer $\a…
Built on a realistic multiband tight-binding model, mirror symmetry is used to map a calcium-intercalated bilayer graphene Hamiltonian into two independent single layer graphene-like Hamiltonians with renormalized hopping. The…
Experimental and theoretical studies of manganese deposition on graphene/Ni(111) shows that a thin ferromagnetic Ni3Mn layer, which is protected by the graphene overlayer, is formed upon Mn intercalation. The electronic bands of graphene…
We study the dipole formation at the surface formed by -CH3 and -CF3 terminated shortchain alkyl-thiolate monolayers on Au(111). In particular, we monitor the change in work function upon chemisorption using density functional theory…
We present a polarization and topology resolved study of the low energy band structure in optimally doped superconducting Ba0.6K0.4Fe2As2 using angle resolved photoemission spectroscopy. Polarization-contrasted measurements allow us to…
We have laid out the results of a rigorous theoretical investigation into the response of electron dressed states, i.e., interacting Floquet states arising from the off-resonant coupling of Dirac spin-1 electrons in the $\alpha$-$T_3$…
Flat bands result in a divergent density of states and high sensitivity to interactions in physical systems. While such bands are well known in systems under magnetic fields, their realization and behavior in zero-field settings remain…
We investigate the possibility of band structure engineering in the recently predicted 2D layered form of blue phosphorus via an electric field (E$_z$) applied perpendicular to the layer(s). Using density functional theory, we study the…
Some meta-stable polymorphs of bismuth monolayer (bismuthene) can host topologically nontrivial phases. However, it remains unclear if these polymorphs can become stable through interaction with a substrate, whether their topological…
Electric double layers (EDL) with counterions only, say electrons with the elementary charge $-e$, in thermal equilibrium at the inverse temperature $\beta$ are considered. In particular, we study the effect of the surface charge modulation…
Exfoliated magnetic 2D materials enable versatile tuning of magnetization, e.g., by gating or providing proximity-induced exchange interaction. However, their electronic band structure after exfoliation has not been probed, most likely due…
The electronic band structure of a liquid metal was investigated by measuring precisely the evolution of angle-resolved photoelectron spectra during the melting of a Pb monolayer on a Si(111) surface. We found that the liquid monolayer…
First-principles calculations reported here illuminate the effects of the interfacial properties of $\alpha$-Al$_{2}$O$_{3}$ and graphene, with emphasis on the structural and electronic properties. Various contact interfaces and different…
The structural, electronic, and optical properties of flat and buckled AlN monolayers are investigated using first-principles approaches. The band gap of a flat AlN monolayer is changed from an indirect one to a direct one, when the planar…
Recent studies of La$_3$Ni$_2$O$_7$ have identified a bilayer (2222) structure and an unexpected alternating monolayer-trilayer (1313) structure, both of which feature signatures of superconductivity near 80 K under high pressures. Using…
Self-assembled monolayers of 1,3,5-tris(4'-biphenyl-4"-carbonitrile)benzene, a large functional trinitrile molecule, on the (111) surfaces of copper and silver under ultrahigh vacuum conditions were studied by scanning tunneling microscopy…
When monolayer graphene is crystallographically aligned to hexagonal boron nitride (BN), a moir\'e superlattice is formed, producing characteristic satellite Dirac peaks in the electronic band structure. Aligning a second BN layer to…
Gold-assisted mechanical exfoliation currently represents a promising method to separate ultra-large (cm-scale) transition metal dichalcogenides (TMDs) monolayers (1L) with excellent electronic and optical properties from the parent van der…
In this work we use first-principles density-functional theory (DFT) calculations combined with the maximally localized Wannier function tight binding Hamiltonian (MLWF-TB) and Bethe-Salpeter equation (BSE) formalism to investigate…
Single-layer TaS$_2$ is epitaxially grown on Au(111) substrates. The resulting two-dimensional crystals adopt the 1H polymorph. The electronic structure is determined by angle-resolved photoemission spectroscopy and found to be in excellent…
Strain engineering is a vital way to manipulate the electronic properties of two-dimensional (2D) materials. As a typical representative of transition metal mono-chalcogenides (TMMs), a honeycomb CuSe monolayer features with one-dimensional…