Related papers: Band structure diagram paths based on crystallogra…
The electronic band structures of two-dimensional materials are significantly different from those of their bulk counterparts, due to quantum confinement and strong modifications of electronic screening. An accurate determination of…
A scattering method is used to calculate the surface band structure of Al(111) from 8.6 eV below the Fermi level to 9 eV above it. This method has rarely been implemented previously. The complete complex bulk and surface band structure is…
Topology is now securely established as a means to explore and classify electronic states in crystalline solids. This review provides a gentle but firm introduction to topological electronic band structure suitable for new researchers in…
A promising route to the realization of Majorana fermions is in non-centrosymmetric superconductors, in which spin-orbit-coupling lifts the spin degeneracy of both bulk and surface bands. A detailed assessment of the electronic structure is…
The electronic band structure of Ga(PAsN) with a few percent of nitrogen is calculated in the whole composition of Ga(PAs) host using the state-of-the-art density functional methods including the modified Becke-Johnson functional to…
Topological phases for free fermions in systems with crystal symmetry are classified by the topology of the valence band viewed as a vector bundle over the Brillouin zone. Additional symmetries, such as crystal symmetries which act…
Using Brillouin spectroscopy, the first observation has been made of the band structures of nanostructured defect magnonic crystals. The samples are otherwise one-dimensional periodic arrays of equal-width Ni80Fe20 and cobalt nanostripes,…
The article is devoted to the discussion of the high-throughput approach to band structures calculations. We present scientific and computational challenges as well as solutions relying on the developed framework (Automatic Flow,…
Knowing the band structure of materials is one of the prerequisites to understand their properties. Therefore, especially in the last decades, angle-resolved photoemission spectroscopy (ARPES) has become a highly demanded experimental tool…
We develop an approach to design, engineer, and measure band structures in a synthetic crystal composed of electric circuit elements. Starting from the nodal analysis of a circuit lattice in terms of currents and voltages, our Laplacian…
We present a new implementation of the k-space interpolation scheme for electronic structure presented by E. L. Shirley, Phys. Rev. B 54, 16464 (1996). The method permits the construction of a compact k-dependent Hamiltonian using a…
Modern computing facilities grant access to first-principles density-functional theory study of complex physical and chemical phenomena in materials, that require large supercell to properly model the system. However, supercells are…
In recent years, there have been rapid advances in the parallel fields of electronic and photonic topological crystals. Topological photonic crystals in particular show promise for coherent transport of light and quantum information at…
We present spherical analysis of electron backscatter diffraction (EBSD) patterns with two new algorithms: (1) band localisation and band profile analysis using the spherical Radon transform; (2) orientation determination using spherical…
In topological semimetals such as Weyl, Dirac, and nodal-line semimetals, the band gap closes at points or along lines in k space which are not necessarily located at high-symmetry positions in the Brillouin zone. Therefore, it is not…
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 Heusler compounds have provided a playground of material candidates for various technological applications based on their highly diverse and tunable properties, controlled by chemical composition and crystal structure. However, physical…
We study the electronic band structure in the K/K' valleys of the Brillouin zone of monolayer WSe2 and MoSe2 by optical reflection and photoluminescence spectroscopy on dual-gated field-effect devices. Our experiment reveals the distinct…
We present a theoretical study on the band structures of the electron constrained to move along triply-periodic minimal surfaces. Three well known surfaces connected via Bonnet transformations, namely P-, D-, and G-surfaces, are considered.…
The multiband nature of iron-pnictide superconductors is one of the keys to the understanding of their intriguing behavior. The electronic and magnetic properties heavily rely on the multiband interactions between different electron and…