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Concept

Wannier function

Related publications (29)

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

Majed Chergui, Helmuth Berger, Arnaud Magrez, Marco Grioni, Frank van Mourik, Alberto Crepaldi, Christopher Alexander Arrell, Philippe Bugnon, 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

Band structure diagram paths based on crystallography

Giovanni Pizzi

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

Localized electronic states at grain boundaries on the surface of graphene and graphite

Oleg Yazyev, Gabriel Albert Autes

Recent advances in large-scale synthesis of graphene and other 2D materials have underscored the importance of local defects such as dislocations and grain boundaries (GBs), and especially their tendency to alter the electronic properties of the material. ...

Iop Publishing Ltd2016

Performance of arsenene and antimonene double-gate MOSFETs from first principles

Nicola Marzari, Giovanni Pizzi, Marco Gibertini

In the race towards high-performance ultra-scaled devices, two-dimensional materials offer an alternative paradigm thanks to their atomic thickness suppressing short-channel effects. It is thus urgent to study the most promising candidates in realistic con ...

Nature Publishing Group2016

Magnons in tetragonal CuO

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

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

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

Monitoring Charge Carrier Dynamics at Atomic Length Scales by STM-induced Luminescence

Christoph Grosse

The goal of this thesis is the combination of the high spatial resolution of scanning tunneling microscopy (STM) with the high temporal resolution of optical spectroscopy, by monitoring the light emitted from the tunnel junction. Two complementary techniqu ...

EPFL2015

An updated version of BOLTZWANN: A code for the evaluation of thermoelectric and electronic transport properties with a maximally-localized Wannier functions basis

Nicola Marzari, Giovanni Pizzi

BoltzWann is a code to evaluate thermoelectric and electronic transport properties of extended systems with a maximally-localized Wannier function basis set. The semiclassical Boltzmann transport equations for the homogeneous infinite system are solved in ...

Elsevier Science Bv2014

BOLTZWANN: A code for the evaluation of thermoelectric and electronic transport properties with a maximally-localized Wannier functions basis

Nicola Marzari, Giovanni Pizzi

We present a new code to evaluate thermoelectric and electronic transport properties of extended systems with a maximally-localized Wannier function basis set. The semiclassical Boltzmann transport equations for the homogeneous infinite system are solved i ...

Elsevier Science Bv2014