Padé approximation of the adiabatic electron contribution to the gyrokinetic quasi-neutrality equation in the ORB5 code

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Resonant Inelastic X-ray Scattering Studies of Low-Dimensional and Frustrated 3d Transition-Metal Oxides

Yi Tseng

3d transition-metal oxide materials with strong electron correlations and low dimensionality give rise to emerging exotic phases. Resonant inelastic X-ray scattering (RIXS) has developed as a powerful spectroscopic tool for probing the collective excitatio ...

EPFL2021

Time- and Angle-Resolved Photoelectron Spectroscopy of Solar Materials

Serhii Polishchuk

Natural foundations defining the manner in which a solid material interacts with optical radiation are primarily encoded in the material's momentum-dependent band structure and the microscopic details of the electron-lattice interactions. An access to this ...

EPFL2021

Fundamental Properties and Classification of Polarization Converting Bianisotropic Metasurfaces

Olivier Martin, Karim Achouri

We provide a detailed discussion on the electromagnetic modeling and classification of polarization converting bianisotropic metasurfaces. To do so, we first present a general approach to compute the scattering response of suchmetasurfaces, which relies on ...

2021

Magnonic crystals with reconfigurable magnetic defects for spin-based microwave electronics

Korbinian Baumgärtl

Collective spin excitations can propagate in magnetically ordered materials in the form of waves. These so-called spin waves (SWs) or magnons are promising for low-power beyond-CMOS information processing, which does not rely anymore on the lossy movement ...

EPFL2021

Hidden bulk and surface effects in the spin polarization of the nodal-line semimetal ZrSiTe

Helmuth Berger, Arnaud Magrez, Marco Grioni, Oleg Yazyev, Alberto Crepaldi, Mauro Fanciulli, Gianmarco Gatti, Daniel Gosalbez Martinez, Silvan Dino Marcos Roth

Local inversion symmetry breaking in centrosymmetric materials can lead to large spin polarization of the electronic band structure in separate sectors of the unit cell. Here, the authors reveal such hidden spin polarisation in ZrSiTe using spin and angle ...

NATURE RESEARCH2021

Extremely large magnetoresistance in the "ordinary" metal ReO3

Oleg Yazyev, Quansheng Wu, Shengnan Zhang

The extremely large magnetoresistance (XMR) observed in many topologically nontrivial and trivial semimetals has attracted much attention in relation to its underlying physical mechanism. In this paper, by combining the band structure and Fermi surface (FS ...

AMER PHYSICAL SOC2021

Unveiling the role of dielectric trap states on capacitively coupled radio-frequency plasma discharge: dynamic charging behaviors

Guang-Yu Sun, Arnas Volcokas

The influence of charge trap states in the dielectric boundary material on capacitively coupled radio-frequency (RF) plasma discharge is investigated with theory and particle-in-cell/Monte Carlo collision simulation. It is found that the trap states of the ...

2021

Extensive Benchmarking of DFT+U Calculations for Predicting Band Gaps

Iurii Timrov

Accurate computational predictions of band gaps are of practical importance to the modeling and development of semiconductor technologies, such as (opto)electronic devices and photoelectrochemical cells. Among available electronic-structure methods, densit ...

2021

Electrons leave the flatland: out-of-plane charge dynamics in layered materials

Edoardo Martino

The goal of this thesis is to explore the "neglected" third dimension of layered materials, by studying the interlayer charge dynamics through dc conductivity, optical spectroscopy and ab-initio calculations. This project was designed to respond to the gro ...

EPFL2020

Dynamics of excited interlayer states in hexagonal boron nitride monolayers

Josef Andreas Schuler, Silvan Dino Marcos Roth

Hexagonal boron nitride () is the isoelectronic but insulating counterpart of graphene. Like graphene it can easily be grown as high-quality nanotubes or as single layers on metal surfaces. Both materials can be exfoliated or transferred after single-layer ...

2020

Learning the electronic density of states in condensed matter

Michele Ceriotti, Andrea Anelli, Chiheb Ben Mahmoud

The electronic density of states (DOS) quantifies the distribution of the energy levels that can be occupied by electrons in a quasiparticle picture and is central to modern electronic structure theory. It also underpins the computation and interpretation ...

AMER PHYSICAL SOC2020