Related papers: Structure and electron bands of phosphorus allotro…
Applying a continuous-time quantum Monte-Carlo algorithm we calculate the exact coherent band dispersion and the density of states of a two dimensional lattice polaron in the region of parameters where any approximation might fail. We find…
In this paper we analyze the band-structure of two-dimensional (2D) halide perovskites by considering structures related to the simpler case of the series, (BA)$_2$PbI$_4$, in which PbI$_4$ layers are intercalated with butylammonium…
One material containing kagome bilayers and featuring both exceptional magnetism and electron transport is the ferromagnetic metal Fe3Sn2. Notwithstanding the widespread interest in Fe3Sn2, crystal twinning, difficulties in distinguishing…
Recent high-pressure x-ray diffraction studies of alkali metals revealed unusual complex structures that follow the body-centered and face-centered cubic structures on compression. The structural sequence of potassium under compression to 1…
We review the basic optical, electronic, optoelectronic, thermoelectric and mechanical properties of few-layer black phosphorus (BP), a layered semiconductor that can be exfoliated from bulk BP, the most stable allotrope of phosphorus. The…
We present an ab initio study of the ground state of an ideal coupled two-component gas of ultracold atoms in a one dimensional optical lattice, either bosons or fermions. Due to the internal two-level structure of the atoms, the Brillouin…
Polarons, that is, charge carriers correlated with lattice deformations, are ubiquitous quasiparticles in semiconductors, and play an important role in electrical conductivity. To date most theoretical studies of so-called large polarons,…
We have conducted a comprehensive angle-resolved photoemission study on the normal state electronic structure of the Fe-based superconductor Ba$_{0.6}$K$_{0.4}$Fe$_2$As$_2$. We have identified four dispersive bands which cross the Fermi…
We have investigated the structural properties, vibrational spectra, and electronic band structures of crystalline cellulose allomorphs and chemically modified cellulose with quantum chemical methods. The electronic band gaps of cellulose…
So far, it represents a challenging task to reproduce angle-resolved photoelectron (ARPES) spectra of epitaxial silicene by first-principles calculations. Here, we report on the resolution of the previously controversial issue related to…
A key to understand how electrons behave in crystalline solids is the band structure that connects the energy of electron waves to their wavenumber (k). Even in the phase of matter with only short-range order (liquid or amorphous solid),…
We construct two-band topological semimetals in four dimensions using the unstable homotopy of maps from the three-torus $T^3$ (Brillouin zone of a 3D crystal) to the two-sphere $S^2$. Dubbed ``Hopf semimetals'', these gapless phases…
Intuitively, the dispersion characteristics of Weyl nodes with opposite charges in single-pair charge-2 Weyl semimetals are the same, quadratic or linear. We theoretically predicted that single-pair hybrid charge-2 Weyl semimetals (the…
We present a symmetry analysis of electronic bandstructure including spin-orbit interaction close to the insulating gap edge in monolayer black phosphorus ('phosphorene'). Expressions for energy dispersion relation and spin-dependent…
Coquelin et al. studied biperiodic semiconductor superlattices, which consist of alternating cell types, one with wide wells and the other narrow wells, separated by equal strength barriers. If the wells were identical, it would be a simply…
The group-IV monochalcogenides SnS, GeS, SnSe and GeSe form a family within the wider group of semiconductor `phosphorene analogues'. Here, we used first principles calculations to investigate systematically their structural, electronic and…
Borophene is a two-dimensional material made out of boron atoms only. It exhibits polymorphism and different allotropes can be studied in terms of a rigid electronic structure, where only the occupation of the states change with the respect…
We experimentally demonstrate a simple graphene/ ferrolectric device, termed Ferrotronic (electronic effect from ferroelectric) device in which the band-structure of single-layer graphene is modified. The device architecture consists of…
We have performed an angle-resolved photoemission study of overdoped La1.78Sr0.22CuO4, and have observed sharp nodal quasiparticle peaks in the second Brillouin zone that are comparable to data from Bi2Sr2CaCu2O8+d. The data analysis using…
We have studied the electronic structure of EuFe2As2-xPx using high resolution angle-resolved photoemission spectroscopy. Upon substituting As with the isovalent P, which leads to a chemical pressure and to superconductivity, we observe a…