Publication

Large polaron formation induced by Rashba spin-orbit coupling

Related publications (30)

Magnetic orderings and electronic structure of complex oxides from advanced Hubbard functionals

Transition metal oxides represent a class of materials displaying very unusual electronic, structural and magnetic properties. They are extremely interesting, both from a technological and fundamental point of view. The most important characteristic of the ...

EPFL2023

First-principles study of the gap in the spin excitation spectrum of the CrI3 honeycomb ferromagnet

Iurii Timrov

The nature of the gap observed at the zone border in the spin excitation spectrum of CrI3 quasitwo-dimensional single crystals is still controversial. We perform first-principles calculations based on time-dependent density functional perturbation theory, ...

Amer Physical Soc2023

Double-bond delocalization in non-alternant hydrocarbons induces inverted singlet-triplet gaps

Anne-Clémence Corminboeuf, Jacob Terence Blaskovits, Marc Hamilton Folkmann Garner

Molecules where the first excited singlet state is lower in energy than the first excited triplet state have the potential to revolutionize OLEDs. This inverted singlet-triplet gap violates Hund's rule and currently there are only a few molecules which are ...

ROYAL SOC CHEMISTRY2023

Double-bond delocalization in non-alternant hydrocarbons induces inverted singlet-triplet gaps

Anne-Clémence Corminboeuf, Jacob Terence Blaskovits, Marc Hamilton Folkmann Garner

ROYAL SOC CHEMISTRY2023

Field-induced ultrafast modulation of Rashba coupling at room temperature in ferroelectric alpha-GeTe(111)

Jan Hugo Dil

Rashba materials have appeared as an ideal playground for spin-to-charge conversion in prototype spintronics devices. Among them, alpha-GeTe(111) is a non-centrosymmetric ferroelectric semiconductor for which a strong spin-orbit interaction gives rise to g ...

Nature Portfolio2022

Spinor GW /Bethe-Salpeter calculations in BerkeleyGW: Implementation, symmetries, benchmarking, and performance

Oleg Yazyev, Manish Jain

Computing the GW quasiparticle band structure and Bethe-Salpeter equation (BSE) absorption spectra for materials with spin-orbit coupling have commonly been done by treating GW corrections and spin-orbit coupling (SOC) as separate perturbations to density- ...

AMER PHYSICAL SOC2022

Charge ordering in Ir dimers in the ground state of Ba5AlIr2O11

Oleg Yazyev, Xingye Lu, Vamshi Mohan Katukuri, Thorsten Schmitt, Vladimir N. Strocov

It has been well established experimentally that the interplay of electronic correlations and spin-orbit interactions in Ir4+ and Ir5+ oxides results in insulating J(eff) = 1/2 and J(eff) = 0 ground states, respectively. However, in compounds where the str ...

AMER PHYSICAL SOC2022

Spin Evolution in the Born-Oppenheimer Approximation

Jean-Philippe Ansermet, Klaus Maschke, François Reuse

The first part of this article attempts to highlight in chronological order some prominent papers that have direct connexion with the Born-Oppenheimer approximation. This timeline successively points to the role of level crossing, the notions of gauge fiel ...

WILEY-V C H VERLAG GMBH2022

Accurate and efficient band-gap predictions for metal halide perovskites at finite temperature

Alfredo Pasquarello, Patrick Gono, Thomas Bischoff, Aleksei Tal, Haiyuan Wang

We develop a computationally efficient scheme to accurately determine finite-temperature band gaps for metal halide perovskites belonging to the class ABX(3) (A = Rb, Cs; B = Ge, Sn, Pb; and X = F, Cl, Br, I). First, an initial estimate of the band gap is ...

NATURE PORTFOLIO2022

Precise determination of the low-energy electronuclear Hamiltonian of LiY1-xHoxF4

Michael Müller, Sandrine Gerber, Gabriel Aeppli

The insulating rare-earth magnet LiY1-xHoxF4 has received great attention because a laboratory field applied perpendicular to its crystallographic c axis converts the low-energy electronic spin Hamiltonian into the (dilute) transverse field Ising model. Th ...

2022

turboMagnon - A code for the simulation of spin-wave spectra using the Liouville-Lanczos approach to time-dependent density-functional perturbation theory

Iurii Timrov

We introduce turboMagnon, an implementation of the Liouville-Lanczos approach to linearized time-dependent density-functional theory, designed to simulate spin-wave spectra in solid-state materials. The code is based on the noncollinear spin-polarized fram ...

ELSEVIER2022

Evidence of a coupled electron-phonon liquid in NbGe2

Mathieu François Padlewski, Philip Johannes Walter Moll, Matthias Carsten Putzke, Hao Yang

Whereas electron-phonon scattering relaxes the electron's momentum in metals, a perpetual exchange of momentum between phonons and electrons may conserve total momentum and lead to a coupled electron-phonon liquid. Such a phase of matter could be a platfor ...

Nature Portfolio2021

Atomic layer deposition of Ni and Ni80Fe20 for tubular spin-wave nanocavities

Maria Carmen Giordano

Magnetic thin films and magnetic nanostructures have become essential components of modern technological applications. Modern branches of magnetisms focus on spin-charge coupling (spintronics) and the collective excitation of spin waves in magnetically ord ...

EPFL2021

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

Helmuth Berger, Marco Grioni, Arnaud Magrez, 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

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

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

Small Electron Polarons in CsPbBr3: Competition between Electron Localization and Delocalization

Alfredo Pasquarello, Julia Anna Wiktor, Stefano Falletta

We study the nature of excess electrons in CsPbBr3 and identify several single and double polaronic states. We emphasize the importance of proper inclusion of the self-interaction corrections for the stability of small electron polarons in this material. W ...

AMER CHEMICAL SOC2020

Low-energy excitations in type-II Weyl semimetal T-d-MoTe2 evidenced through optical conductivity

Ana Akrap

Molybdenum ditelluride, MoTe2, is a versatile material where the topological phase can be readily tuned by manipulating the associated structural phase transition. The fine details of the band structure of MoTe2, key to understanding its topological proper ...

AMER PHYSICAL SOC2020

Experimental studies of the equilibrium and out-of-equilibrium electronic structure of non-symmorphic topological materials

Gianmarco Gatti

Symmetry and topology are fundamental properties of nature. Mathematics provides us with a general framework to understand these concepts. On one side, symmetry describes the invariance properties of an object for specific transformations. On the other sid ...

EPFL2020

Fully spin-polarized bulk states in ferroelectric GeTe

Jan Hugo Dil, Mauro Fanciulli

By measuring the spin polarization of GeTe films as a function of light polarization we observed that the bulk states are fully spin polarized in the initial state, in strong contrast with observations for other systems with a strong spin-orbit interaction ...

2020