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Publications associées (31)

Quantum Circuits for the Preparation of Spin Eigenfunctions on Quantum Computers

Alessandro Carbone

The application of quantum algorithms to the study of many-particle quantum systems requires the ability to prepare wave functions that are relevant in the behavior of the system under study. Hamiltonian symmetries are important instruments used to classif ...

MDPI2022

Charge ordering in Ir dimers in the ground state of Ba5AlIr2O11

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

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, François Reuse, Klaus Maschke

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

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

Development of a reduced model for energetic particle transport by sawteeth in tokamaks

Mario Ludovico Podesta, Francesca Maria Poli, Anna Teplukhina, Matteo Vallar, Jiangyan Yang

The sawtooth instability is known for inducing transport and loss of energetic particles (EPs), and for generating seed magnetic islands that can trigger tearing modes. Both effects degrade the overall plasma performance. Several theories and numerical mod ...

2022

Magnetic Properties of Surface Adsorbed Metal Adatoms and Dimers

Dante Philippe Sblendorio

This thesis investigates the magnetic properties of single atoms and dimers adsorbed on graphene and oxide decoupling layers supported by single crystal metal substrates, using scanning tunneling microscopy (STM) and spin-polarized scanning tunneling micro ...

EPFL2022

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

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

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

Sandrine Gerber, Gabriel Aeppli, Michael Müller

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

Coherent Hole Transport in Selective Area Grown Ge Nanowire Networks

Anna Fontcuberta i Morral, Alok Rudra, Andrea Giunto, Santhanu Panikar Ramanandan, Nicholas Paul Morgan

Holes in germanium nanowires have emerged as a realistic platform for quantum computing based on spin qubit logic. On top of the large spin–orbit coupling that allows fast qubit operation, nanowire geometry and orientation can be tuned to cancel out charge ...

American Chemical Society (ACS)2022

Real space and reciprocal space investigations of the spin dynamics in skyrmion-hosting materials

Le Yu

Magnetic skyrmions are whirl-like spin configurations with particle-like properties protected by non-trivial topology. Due to their unique spin structures and dynamical properties, they have attracted tremendous interests over the past decade, from fundame ...

EPFL2022

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