Concept

Brillouin zone

Related publications (41)

Band structure diagram paths based on crystallography

Systematic and automatic calculations of the electronic band structure are a crucial component of computationally-driven high-throughput materials screening. An algorithm, for any crystal, to derive a unique description of the crystal structure together wi ...

Elsevier2017

Time-resolved ARPES at LACUS: Band Structure and Ultrafast Electron Dynamics of Solids

Majed Chergui, Marco Grioni, Arnaud Magrez, Helmuth Berger, Frank van Mourik, Philippe Bugnon, Alberto Crepaldi, Christopher Alexander Arrell, Gianmarco Gatti, José Javier Pancracio Ojeda Andara, Silvan Dino Marcos Roth

The manipulation of the electronic properties of solids by light is an exciting goal, which requires knowledge of the electronic structure with energy, momentum and temporal resolution. Time- and angle-resolved photoemission spectroscopy (tr-ARPES) is the ...

2017

Time-resolved ARPES at LACUS: Band Structure and Ultrafast Electron Dynamics of Solids

Schweizerische Chemische Gesellschaft2017

eQE: An open-source density functional embedding theory code for the condensed phase

Oliviero Andreussi

In this work, we present the main features and algorithmic details of a novel implementation of the frozen density embedding (FDE) formulation of subsystem density functional theory (DFT) that is specifically designed to enable ab initio molecular dynamics ...

Wiley2017

A novel quasi-one-dimensional topological insulator in bismuth iodide beta-Bi4I4

László Forró, Marco Grioni, Oleg Yazyev, Gabriel Albert Autes, Luca Moreschini, Andrea Pisoni, Jens Christian Johannsen, Wentao Zhang

Recent progress in the field of topological states of matter(1,2) has largely been initiated by the discovery of bismuth and antimony chalcogenide bulk topological insulators (TIs; refs 3-6), followed by closely related ternary compounds(7-16) and predicti ...

Nature Publishing Group2016

Magnons in tetragonal CuO

Henrik Moodysson Rønnow, Frédéric Mila, Marco Grioni, Thorsten Schmitt, Simon Karl Moser, Bastien Dalla Piazza, Sara Fatale, Noore Elahi Shaik

We investigate by resonant inelastic x-ray scattering the magnetic excitations in thin films of tetragonal CuO. We identify a spin wave excitation, dispersing on two cupratelike antiferromagnetic sublattices. Its energy at the boundary of the Brillouin zon ...

2015

Fermi states and anisotropy of Brillouin zone scattering in the decagonal Al-Ni-Co quasicrystal

Jan Hugo Dil, Thorsten Schmitt

Quasicrystals (QCs) are intermetallic alloys that have excellent long-range order but lack translational symmetry in at least one dimension. The valence band electronic structure near the Fermi energy E-F in such materials is of special interest since it h ...

Nature Publishing Group2015

Valley Zeeman effect in elementary optical excitations of monolayer WSe2

Andras Kis, Adrien Victor Allain, Dominik Sebastian Lembke, Meinrad Sidler

A monolayer of a transition metal dichalcogenide such as WSe2 is a two-dimensional direct-bandgap valley-semiconductor(1,2) having an effective honeycomb lattice structure with broken inversion symmetry. The inequivalent valleys in the Brillouin zone could ...

Nature Publishing Group2015

Critical scattering of synchrotron radiation in lead zirconate-titanate with low titanium concentrations

Alexander Tagantsev

Diffuse scattering in the lead zirconate-titanate single crystal with a titanium concentration of 0.7 at % has been studied by the synchrotron radiation scattering method. Measurements have been performed both in the vicinity of the Brillouin zone center a ...

Maik Nauka/Interperiodica/Springer2015

Probing two- and three-dimensional electrons in MgB2 with soft x-ray angle-resolved photoemission

Thorsten Schmitt, Martin Mansson

electronic band structure of MgB2 involves a unique combination of two-and three-dimensional (3D) electrons derived from the boron sigma and pi states, respectively. We have mapped out the sigma and pi bands over the complete Brillouin zone, including the ...

Amer Physical Soc2015

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