Brillouin zone

About: Brillouin zone is a research topic. Over the lifetime, 13849 publications have been published within this topic receiving 383077 citations.

Energy Band Structure of Copper

Abstract: The $E(k)$ values were computed for the equivalent of 2048 points in the Brillouin zone and for energies ranging from the bottom of the $4s$-band to approximately 2 Ry above the Fermi energy. From these calculations the Fermi energy, Fermi surface, and density of states were determined. Comparison of results with experiment shows not only qualitative but in most cases quantitative agreement. Agreement with recent independent theoretical work by Segall suggests an accurate solution of Schr\"odinger's equation for the potential used has been obtained.

Neutron scattering in the proximate quantum spin liquid α-RuCl 3 .

Abstract: The Kitaev quantum spin liquid (KQSL) is an exotic emergent state of matter exhibiting Majorana fermion and gauge flux excitations. The magnetic insulator α-RuCl3 is thought to realize a proximate KQSL. We used neutron scattering on single crystals of α-RuCl3 to reconstruct dynamical correlations in energy-momentum space. We discovered highly unusual signals, including a column of scattering over a large energy interval around the Brillouin zone center, which is very stable with temperature. This finding is consistent with scattering from the Majorana excitations of a KQSL. Other, more delicate experimental features can be transparently associated with perturbations to an ideal model. Our results encourage further study of this prototypical material and may open a window into investigating emergent magnetic Majorana fermions in correlated materials.

Electronic structure and thermoelectric properties of bismuth telluride and bismuth selenide

Abstract: The electronic structures of the two thermoelectric materials and are studied using density-functional theory with the spin - orbit interaction included. The electron states in the gap region and the chemical bonding can be described in terms of interaction between the atomic p orbitals within the `quintuple' layer. For , we find both the valence-band maximum as well as the conduction-band minimum, each with a nearly isotropic effective mass, to occur at the zone centre in agreement with experimental results. For , we find that the six valleys for the valence-band maximum are located in the mirror planes of the Brillouin zone and they have a highly anisotropic effective mass, leading to an agreement between the de Haas - van Alphen data for the p-doped samples and the calculated Fermi surface. The calculated conduction band, however, has only two minima, instead of the six minima indicated from earlier experiments. The calculated Seebeck coefficients for both p-type and n-type materials are in agreement with the experiments.

Optical dispersion relations for GaP, GaAs, GaSb, InP, InAs, InSb, AlxGa1−xAs, and In1−xGaxAsyP1−y

Abstract: A method is described for calculation of the optical constants (the refractive index, extinction coefficient, and absorption coefficient) of some III‐V binaries (GaP, GaAs, GaSb, InP, InAs, and InSb), ternaries (AlxGa1−xAs), and quaternaries (In1−xGaxAsyP1−y) in the entire range of photon energies (0–6.0 eV). The imaginary part of the dielectric function [e2(ω)] is derived first from the joint density‐of‐states functions at energies of various critical points (CPs) in the Brillouin zone; then its real part [e1(ω)] is obtained analytically using the Kramers–Kronig relation. The indirect band‐gap transitions are also assumed to provide a gradually increasing e2 spectrum expressed by a power law of (ℏω−EIDg)2, where ℏω is the photon energy and EIDg is the indirect band‐gap energy. The optical dispersion relations are expressed in terms of these model dielectric functions. The present model reveals distinct structures in the optical constants at energies of the E0, E0+Δ0 [three‐dimensional (3‐D) M0 CP], E1, E...