Related papers: Structure and electron bands of phosphorus allotro…
The electronic band structure of V$_2$O$_5$ is calculated using an all-electron quasiparticle self-consistent (QS) $GW$ method, including electron-hole ladder diagrams in the screening of $W$. The optical dielectric function calculated with…
Peierls gap is analyzed in case of a two-dimensional lattice under the influence of a magnetic field, in a tight-binding approximation. By using a non-analytic class of potentials, such as the Kohmoto potential in the Harper model,…
A robust variational approach is used to investigate the sensitivity of the rotation-vibration spectrum of phosphine (PH$_3$) to a possible cosmological variation of the proton-to-electron mass ratio, $\mu$. Whilst the majority of computed…
The spinless Falicov-Kimball model on the simple cubic lattice is analyzed in the Hubbard-I and dynamical mean field (DMFT) approximations. The Matsubara and real frequency itinerant electron Green's functions, the evolution of the system…
Bloch theory describes the electronic states in crystals whose energies are distributed as bands over the Brillouin zone. The electronic states corresponding to a (few) isolated energy band(s) thus constitute a vector bundle. The…
Pyrite-type PdSb$_2$ with a nonsymmorphic cubic structure has been predicted to host six-fold-degenerate exotic fermions beyond the Dirac and Weyl fermions. Though magnetotransport measurements on PdSb$_2$ suggest its topologically…
The structure of the electronic nonlinear optical conductivity is elucidated in a detailed study of the time-reversal symmetric two-band model. The nonlinear conductivity is decomposed as a sum of contributions related with different…
Lattice {\em Kirigami}, ultra-light metamaterials, poly-disperse aggregates, ceramic nano-lattices, and two-dimensional (2-D) atomic materials share an inherent structural discreteness, and their material properties evolve with their shape.…
We report a comprehensive study of the electronic structure of CeCoGe$_3$ throughout the entire Brillouin zone in the non-magnetic regime using angle-resolved photoemission spectroscopy (ARPES). The electronic structure agrees in large part…
We study the electronic structure of the chiral semimetal PdGa by means of the de Haas-van Alphen and Shubnikov-de Haas effect. We find that the Fermi surface of PdGa comprises multiple pockets split by spin-orbit coupling. We compare our…
Here, the frequency degree of freedom is introduced into valley photonic crystals with dual band gaps. Based on the high-order plane wave expansion model, we derive an effective Hamiltonian which characterizes dual band gaps. Metallic…
We propose a scheme to determine the energy-band dispersion of quasicrystals which does not require any periodic approximation and which directly provides the correct structure of the extended Brillouin zones. In the gap labelling…
The electronic structure of the conjugated polymer, polyaniline, has been studied by resonant and nonresonant X-ray emission spectroscopy using synchrotron radiation for the excitation. The measurements were made on polyaniline and a few…
By performing firt-principles electronic calculations we propose new a phase of group-V allotropes of antimonene, arsenene and phosphorene in the pentaoctite structure. By calculating the phonon spectra, we show that all these phases are…
We present a method for efficiently enumerating all allowed, topologically distinct, electronic band structures within a given crystal structure. The algorithm applies to crystals with broken time-reversal, particle-hole, and chiral…
Few-layer Tellurium, an elementary semiconductor, succeeds most of striking physical properties that black phosphorus (BP) offers and could be feasibly synthesized by simple solution-based methods. It is comprised of non-covalently bound…
We adopt an atomistic pseudopotential description of the electronic structure of self-assembled, lens shaped InAs quantum dots within the ``linear combination of bulk bands'' method. We present a detailed comparison with experiment,…
Phosphorene, a monolayer of black phosphorus, is a two-dimensional material that lacks a multivalley structure in the Brillouin zone and has negligible spin-orbit coupling. This makes it a promising candidate for investigating the orbital…
The electronic band structure and Fermi surface of ZrTe_3 was precisely determined by linearly polarized angle-resolved photoelectron spectroscopy. Several bands and a large part of the Fermi surface are found to be split by 100-200 meV…
Monolayer black and blue phosphorenes possess electronic and optical properties that result in unique features when the two materials are stacked. We devise a low-strain van-der-Waals double layer and investigate its properties with ab…