Publications related to Opening of a Peierls gap in BaVS3 probed by V L-3 edge resonant inelastic x-ray scattering

Machine-learning the electronic density of states: electronic properties without quantum mechanics

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 ...

EPFL2023

Hybridization driving distortions and multiferroicity in rare-earth nickelates

Nicola Marzari, Iurii Timrov, Michele Kotiuga, Luca Binci

For decades transition-metal oxides have generated a huge interest due to the multitude of physical phenomena they exhibit. In this class of materials, the rare-earth nickelates, RNiO3, stand out for their rich phase diagram stemming from complex couplings ...

Amer Physical Soc2023

Murunskite - a new class of functional material

Davor Tolj

The subject of the present work is discovery and in-depth characterization of a new class of functional materials. Tuning of the bond polarity and orbital occupation with a goal of establishing balance between localization and delocalization of electrons - ...

EPFL2023

Electronic Coupling of Metal-to-Insulator Transitions in Nickelate-Based Heterostructures

Jean-Marc Triscone, Duncan Thomas Lindsay Alexander, Bernat Mundet

In rare earth nickelates, the metal-to-insulator transition observed as a function of temperature can be described using an electronic and a structural order parameter. The electronic one is linked to the electronic disproportionation observed below the tr ...

WILEY2023

Correlated insulator collapse due to quantum avalanche via in-gap ladder states

Xi Chen, Camille Didier Georges Aron

The significant discrepancy observed between the predicted and experimental switching fields in correlated insulators under a DC electric field far-from-equilibrium necessitates a reevaluation of current microscopic understanding. Here we show that an elec ...

Nature Portfolio2023

Berry curvature dipole generation and helicity-to-spin conversion at symmetry-mismatched heterointerfaces

Peng Chen, Xupeng Yang

The Berry curvature dipole (BCD) is a key parameter that describes the geometric nature of energy bands in solids. It defines the dipole-like distribution of Berry curvature in the band structure and plays a key role in emergent nonlinear phenomena. The th ...

Nature Portfolio2023

Competition between Carrier Injection and Structural Distortions in Electron-Doped Perovskite Nickelate Thin Films

Jean-Marc Triscone, Duncan Thomas Lindsay Alexander, Jonathan Spring, Bernat Mundet

The discovery of superconductivity in doped infinite-layer nickelate thin films has brought increased attention to the behavior of the doped perovskite phase. Despite this interest, the majority of existing studies pertain to hole-doped perovskite rare-ear ...

WILEY2023

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

Optomechanical response of a strongly interacting Fermi gas

Jean-Philippe Brantut, Victor Youri Helson, Kevin Etienne Robert Roux, Hideki Konishi, Timo Zwettler

We study a Fermi gas with strong, tunable interactions dispersively coupled to a high-finesse cavity. Upon probing the system along the cavity axis, we observe a strong optomechanical Kerr nonlinearity originating from the density response of the gas to th ...

AMER PHYSICAL SOC2022

Cavity Quantum Electrodynamics with strongly correlated fermions

Kevin Etienne Robert Roux

This thesis presents the first cavity quantum electrodynamics experiments performed with a degenerate gas of

^6

Li with strong atom-atom interactions. The first part of this manuscript describes the design and the building of the apparatus that has been e ...

EPFL2022

Machines for Materials and Materials for Machines: Metal-Insulator Transitions and Artificial Intelligence

Bernat Mundet

In this perspective, we discuss the current and future impact of artificial intelligence and machine learning for the purposes of better understanding phase transitions, particularly in correlated electron materials. We take as a model system the rare-eart ...

2021

Ab Initio Electron-Phonon Interactions in Correlated Electron Systems

Nicola Marzari, Matteo Cococcioni, Iurii Timrov, Andrea Floris

Electron-phonon (e-ph) interactions are pervasive in condensed matter, governing phenomena such as transport, superconductivity, charge-density waves, polarons, and metal-insulator transitions. First-principles approaches enable accurate calculations of e- ...

AMER PHYSICAL SOC2021

Proximity-Induced Novel Ferromagnetism Accompanied with Resolute Metallicity in NdNiO3 Heterostructure

Joël Mesot, Zoran Ristic, Marco Caputo, Anna Zakharova, Zheng Wang

Employing X-ray magnetic circular dichroism (XMCD), angle-resolved photoemission spectroscopy (ARPES), and momentum-resolved density fluctuation (MRDF) theory, the magnetic and electronic properties of ultrathin NdNiO3 (NNO) film in proximity to ferromagne ...

2021

From hidden order to antiferromagnetism: Electronic structure changes in Fe-doped URu2Si2

Emmanouil Frantzeskakis, Kevin Huang, Ji Dai

In matter, any spontaneous symmetry breaking induces a phase transition characterized by an order parameter, such as the magnetization vector in ferromagnets, or a macroscopic many electron wave function in superconductors. Phase transitions with unknown o ...

National Academy of Sciences2021

Extremely large magnetoresistance in the "ordinary" metal ReO3

Oleg Yazyev, Quansheng Wu, Shengnan Zhang, Huancheng Chen

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

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

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

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

Correlated states in twisted double bilayer graphene

Oleg Yazyev, Na Li, Quansheng Wu, Jian Tang, Rong Yang, Cheng Shen

Electron-electron interactions play an important role in graphene and related systems and can induce exotic quantum states, especially in a stacked bilayer with a small twist angle(1-7). For bilayer graphene where the two layers are twisted by the 'magic a ...

NATURE PUBLISHING GROUP2020

Insight into the electronic structure of semiconducting epsilon-GaSe and epsilon-InSe

Helmuth Berger, Marco Grioni, Daniela Pacilè, Alberto Crepaldi

Metal monochalcogenides (MX) have recently been rediscovered as two-dimensional materials with electronic properties highly dependent on the number of layers. Although some intriguing properties appear in the few-layer regime, the carrier mobility of MX co ...

AMER PHYSICAL SOC2020