Publications associées à Non-Zhang-Rice Singlet Character of the First Ionization State of T-CuO

Molecular intercalation in the van der Waals antiferromagnets FePS3 and NiPS3

Bruce Normand, Xiaoyu Xu, Sheng Xu, Ying Chen, Zeyu Wang, Shuo Li, Weiqiang Yu

We have performed electrochemical treatment of the van der Waals antiferromagnetic materials FePS3 and NiPS3 with the ionic liquid EMIM-BF4, achieving significant molecular intercalation. Mass analysis of the intercalated compounds, EMIMx-FePS3 and EMIMx-N ...

Amer Physical Soc2024

Frustrated magnets in the limit of infinite dimensions: Dynamics and disorder-free glass transition

Achille Mauri

We study the statistical mechanics and the equilibrium dynamics of a system of classical Heisenberg spins with frustrated interactions on a d -dimensional simple hypercubic lattice, in the limit of infinite dimensionality d -> infinity . In the analysis we ...

Amer Physical Soc2024

Band Gap Renormalization at Different Symmetry Points in Perovskites

Majed Chergui, Lijie Wang

Using ultrafast broad-band transient absorption (TA) spectroscopy of photoexcited MAPbBr3 thin films with probe continua in the visible and the mid- to deep-ultraviolet (UV) ranges, we capture the ultrafast renormalization at the fundamental gap at the R s ...

Amer Chemical Soc2024

'Fraternal-twin' ferroelectricity: competing polar states in hydrogen-doped samarium nickelate from first principles

Michele Kotiuga

In ferroelectric switching, an applied electric field switches the system between two polar symmetry-equivalent states. In this work, we use first-principles calculations to explore the polar states of hydrogen-doped samarium nickelate (SNO) at a concentra ...

Iop Publishing Ltd2024

Exciton migration in two-dimensional materials

Excitons play an essential role in the optical response of two-dimensional materials. These are bound states showing up in the band gaps of many-body systems and are conceived as quasiparticles formed by an electron and a hole. By performing real-time simu ...

Nature Portfolio2024

Magnetism of Single Surface Adsorbed Atoms Studied with Radio-Frequency STM

Clément Marie Soulard

This thesis investigates the magnetic properties of single atoms and molecules adsorbed on thin magnesium oxide decoupling layers, grown on a silver single crystal. To address these systems experimentally, we use a low temperature scanning tunneling micros ...

EPFL2024

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

FIB-Fabrication of Resonating Cantilevers to Explore Symmetry-Breaking in Quantum Materials

Amelia Emily-Kay Estry

Scientific progress and technological advancements on novel materials are often deterred by limitations on size and quality of samples. Materials with electronic phenomena attractive for applications, and presenting many open scientific questions, are ofte ...

EPFL2023

Twisted chiral superconductivity in photodoped frustrated Mott insulators

Philipp Georg Werner Seeberger, Markus Müller, Jiajun Li

Recent advances in ultrafast pump-probe spectroscopy provide access to hidden phases of correlated matter, including light-induced superconducting states. The theoretical understanding of these nonequilibrium phases remains limited, particularly for correl ...

AMER PHYSICAL SOC2023

Critical line of the triangular Ising antiferromagnet in a field from a C3-symmetric corner transfer matrix algorithm

Frédéric Mila, Jeanne Colbois, Samuel Louis Nyckees, Afonso Dos Santos Rufino

The corner transfer matrix renormalization group (CTMRG) algorithm has been extensively used to investigate both classical and quantum two-dimensional (2D) lattice models. The convergence of the algorithm can strongly vary from model to model depending on ...

Amer Physical Soc2023

A diamond spin qubit scanning probe microscope

Dinesh Kevin Mathais Pinto

The properties of a physical system only exist in relation to its environment. This thesis presents the development of a novel spin qubit scanning probe microscope operating over a wide range of environmental conditions. The qubit, which sits at the heart ...

EPFL2023

Magnetic excitations in the topological semimetal YbMnSb2

Jian Rui Soh

We report neutron scattering measurements on YbMnSb2 which shed light on the nature of the magnetic moments and their interaction with Dirac fermions. Using half-polarized neutron diffraction we measured the field-induced magnetization distribution in the ...

AMER PHYSICAL SOC2023

Confirming the high pressure phase diagram of the Shastry-Sutherland model

Henrik Moodysson Rønnow, Martin Mansson

A Muon Spin Rotation (mu+SR) study was conducted to investigate the magnetic properties of SrCu2(BO3)(2) (SCBO) as a function of temperature/pressure. Measurements in zero field and transverse field confirm the absence of long range magnetic order at high ...

IOP PUBLISHING LTD2023

Maple leaf antiferromagnet in a magnetic field

Frédéric Mila, Ronny Thomale, Pratyay Ghosh

We analyze the quantum antiferromagnet on the maple leaf lattice in the presence of a magnetic field. Starting from its exact dimer ground state and for a magnetic field strength of the order of the local dimer spin-exchange coupling, we perform a strong-c ...

Amer Physical Soc2023

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

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 ...

EPFL2023

Numerical investigation of bound states in quantum magnets

Mithilesh Nayak

Bound-states of particles are an interesting problem in quantum mechanics dating back to 1931 Bethe's solution of spin-1/2 Heisenberg chain. These exotic composite states are realized in quantum magnets and are detectable in inelastic neutron scattering (I ...

EPFL2023

Spin Textures in 2D Magnets

Lukas Powalla

The continuous reduction of the structural size in nanotechnology slowed down over the last decade, approaching the natural limit of single atoms as building blocks of matter. Therefore, intensive research is directed toward exploring new frontiers, in par ...

EPFL2023

Dynamic nuclear polarisation of 1H in Gd-doped In(OH)3

David Lyndon Emsley, Michael Allan Hope, Amrit Venkatesh, Yuxuan Zhang

Dynamic nuclear polarisation (DNP) of solids doped with high-spin metal ions, such as Gd3+, is a useful strategy to enhance the nuclear magnetic resonance (NMR) sensitivity for these samples. Spin diffusion can relay polarisation throughout a sample, which ...

Academic Press Inc - Elsevier Science2023

Structure, Spin Correlations, and Magnetism of the S=1/2 Square-Lattice Antiferromagnet Sr2CuTe1-xWxO6 (0 ≤ x ≤ 1)

Henrik Moodysson Rønnow, Peter Babkevich, Sami Juhani Vasala, Ellen Fogh

Quantum spin liquids are highly entangled magnetic states with exotic properties. The S = 1/2 square-lattice Heisenberg model is one of the foundational models in frustrated magnetism with a predicted, but never observed, quantum spin liquid state. Isostru ...

Amer Chemical Soc2023

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

Luca Binci

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